data_1bah_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 1bah _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -141.02 53.9 1.57 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.542 HG13 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.8 -170.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.14 2.176 . . . . 0.0 106.581 174.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.542 ' H ' HG13 ' A' ' 5' ' ' VAL . 6.9 p -114.46 131.69 56.52 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.498 1.519 . . . . 0.0 108.343 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -139.75 150.34 44.67 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 121.989 0.899 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -127.25 -49.79 1.43 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.958 2.103 . . . . 0.0 108.021 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.515 ' HG1' ' HB2' ' A' ' 12' ' ' GLU . 12.7 p -108.46 133.76 52.17 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.124 1.77 . . . . 0.0 109.033 -176.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 p -87.48 74.21 9.37 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.171 1.788 . . . . 0.0 111.231 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -172.54 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.207 2.203 . . . . 0.0 105.99 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.515 ' HB2' ' HG1' ' A' ' 9' ' ' THR . 43.9 tt0 . . . . . 0 C--N 1.372 1.573 0 C-N-CA 131.096 3.758 . . . . 0.0 117.999 174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 m0 . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 p -90.21 -0.2 57.5 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 127.384 2.274 . . . . 0.0 110.751 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.04 -37.08 7.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.394 0 C-N-CA 126.857 2.063 . . . . 0.0 108.387 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.13 -21.76 64.91 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 127.605 2.362 . . . . 0.0 114.57 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -50.08 6.9 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.769 2.428 . . . . 0.0 111.949 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.17 -24.74 60.6 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.549 2.74 . . . . 0.0 115.241 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -54.47 4.04 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.255 2.222 . . . . 0.0 110.47 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.06 -112.18 0.27 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.824 1.65 . . . . 0.0 107.041 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -179.88 60.52 0.01 OUTLIER 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.491 1.516 . . . . 0.0 107.189 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -144.87 179.67 7.18 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -144.98 20.07 1.61 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -176.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.04 121.44 44.98 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.55 139.48 5.39 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 104.923 -3.271 . . . . 0.0 104.923 -170.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -145.02 159.43 42.96 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 101.406 -3.553 . . . . 0.0 101.406 173.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.7 p -122.76 170.68 9.82 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 ttt -99.03 -122.1 0.14 Allowed 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.458 1.503 . . . . 0.0 108.819 -168.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -86.13 -41.55 14.63 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.978 1.711 . . . . 0.0 112.695 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -144.72 -1.06 0.9 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 117.308 -1.329 . . . . 0.0 113.283 -168.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 CA--C 1.49 -1.352 0 CA-C-N 122.313 2.324 . . . . 0.0 109.891 -169.748 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.49 149.14 35.46 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.13 -2.545 . . . . 0.0 104.13 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -143.99 62.84 1.35 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 -162.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.26 1.618 0 C-N-CA 124.492 1.117 . . . . 0.0 108.47 177.26 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -128.07 49.88 2.12 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.63 158.18 3.76 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 129.032 2.933 . . . . 0.0 104.314 172.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -95.2 135.29 36.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.9 1.28 . . . . 0.0 109.713 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -134.75 147.72 50.08 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 122.299 1.047 . . . . 0.0 109.096 -172.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -128.32 -46.03 1.35 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.311 2.245 . . . . 0.0 107.871 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.405 ' HG1' ' HB2' ' A' ' 12' ' ' GLU . 16.7 p -107.89 139.65 42.18 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 125.586 1.554 . . . . 0.0 110.591 -171.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 p -89.91 85.21 6.3 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.031 1.733 . . . . 0.0 108.734 170.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -177.36 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.353 0.756 0 N-CA-C 103.53 -2.767 . . . . 0.0 103.53 -169.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HB2' ' HG1' ' A' ' 9' ' ' THR . 7.7 tt0 . . . . . 0 C--N 1.367 1.337 0 C-N-CA 131.264 3.826 . . . . 0.0 117.104 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 CA--C 1.516 -0.344 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 p -89.79 -8.47 52.05 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.476 1.911 . . . . 0.0 111.31 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 t -98.64 -25.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 125.346 1.458 . . . . 0.0 109.655 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 m -84.19 -19.84 33.37 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 124.56 1.144 . . . . 0.0 112.432 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -89.92 -35.21 15.72 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.052 2.141 . . . . 0.0 112.677 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -85.8 -20.19 29.57 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.525 1.93 . . . . 0.0 113.291 -177.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.9 -63.16 1.32 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.224 2.21 . . . . 0.0 109.261 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -101.83 -114.09 0.2 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 125.736 1.615 . . . . 0.0 107.808 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.7 59.38 0.01 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -145.07 174.45 11.04 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.1 p -145.14 36.18 1.11 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.01 117.51 10.84 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 173.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.83 129.47 1.07 Allowed Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 106.556 -2.617 . . . . 0.0 106.556 -172.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -125.83 -145.61 0.33 Allowed 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -154.53 174.23 15.21 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.21 -121.92 0.13 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.72 2.008 . . . . 0.0 108.141 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -85.37 -42.15 14.82 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.31 1.444 . . . . 0.0 112.95 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 5.5 mmmp? -144.82 -2.36 0.83 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.48 -1.248 . . . . 0.0 114.024 -166.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt . . . . . 0 CA--C 1.489 -1.381 0 CA-C-N 121.912 2.142 . . . . 0.0 108.776 -178.516 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 . . . . . 0 N--CA 1.44 -0.945 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.91 138.2 26.76 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -136.3 69.91 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 -161.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.26 1.617 0 C-N-CA 125.182 1.393 . . . . 0.0 109.978 179.798 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -144.82 54.7 1.24 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.499 HG13 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.21 -171.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 126.729 2.011 . . . . 0.0 106.546 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.499 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.8 p -109.97 132.67 53.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.156 1.383 . . . . 0.0 108.17 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -135.36 149.99 49.83 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 122.262 1.03 . . . . 0.0 109.726 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -127.64 -47.39 1.41 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.373 2.269 . . . . 0.0 107.601 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 p -109.3 132.35 54.2 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.813 2.045 . . . . 0.0 110.06 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -89.89 80.33 6.48 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 126.28 1.832 . . . . 0.0 109.885 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -175.61 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.032 2.533 . . . . 0.0 104.71 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--N 1.371 1.501 0 C-N-CA 129.929 3.291 . . . . 0.0 115.361 172.486 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.4 m95 . . . . . 0 CA--C 1.522 -0.115 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.96 -6.0 56.13 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.458 2.303 . . . . 0.0 111.389 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.9 t -97.79 -34.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 125.942 1.697 . . . . 0.0 109.621 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 m -73.46 -18.78 61.09 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 126.576 1.95 . . . . 0.0 114.436 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -47.76 7.94 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.318 2.247 . . . . 0.0 111.054 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.82 3.248 . . . . 0.0 115.922 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.34 -66.25 0.94 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 126.309 1.844 . . . . 0.0 110.254 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -103.05 -110.6 0.24 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.085 1.754 . . . . 0.0 108.127 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -178.85 63.92 0.01 OUTLIER 'General case' 0 C--N 1.353 0.724 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -145.02 -175.56 4.74 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -128.35 -20.28 3.72 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.308 1.443 . . . . 0.0 107.77 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -94.97 122.81 38.01 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 -167.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.89 1.99 Allowed Glycine 0 CA--C 1.488 -1.648 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 -166.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -145.01 158.13 43.91 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 -174.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 p -118.35 169.74 9.49 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 124.295 1.038 . . . . 0.0 108.91 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -100.07 -119.68 0.15 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 125.468 1.507 . . . . 0.0 108.168 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -85.0 -39.51 17.97 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.713 1.205 . . . . 0.0 114.189 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' HZ2' ' HB3' ' A' ' 31' ' ' LYS . 10.0 mtpm? -138.34 -19.42 1.1 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -162.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 CA--C 1.491 -1.304 0 CA-C-N 121.479 1.945 . . . . 0.0 108.854 -167.283 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 . . . . . 0 CA--C 1.508 -0.639 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.89 150.47 37.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -144.37 75.11 1.45 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.26 1.642 0 C-N-CA 124.887 1.275 . . . . 0.0 108.975 176.786 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -150.4 55.43 0.92 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.545 HG13 ' H ' ' A' ' 6' ' ' SER . 1.7 t -102.85 -167.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.23 0 C-N-CA 126.251 1.82 . . . . 0.0 106.278 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.545 ' H ' HG13 ' A' ' 5' ' ' VAL . 9.2 p -114.03 134.76 54.64 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.326 1.451 . . . . 0.0 108.593 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.66 150.74 42.31 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-O 121.822 0.82 . . . . 0.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.94 -48.34 1.13 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.544 1.938 . . . . 0.0 107.637 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.413 ' HG1' ' HB2' ' A' ' 12' ' ' GLU . 16.7 p -107.83 133.9 51.54 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.366 1.866 . . . . 0.0 109.332 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -89.38 72.04 8.06 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.505 1.922 . . . . 0.0 110.712 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -168.21 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.355 0.825 0 C-N-CA 127.789 2.436 . . . . 0.0 106.838 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HB2' ' HG1' ' A' ' 9' ' ' THR . 2.3 tm-20 . . . . . 0 C--N 1.374 1.669 0 C-N-CA 129.245 3.018 . . . . 0.0 115.948 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.2 m0 . . . . . 0 CA--C 1.524 -0.054 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 p -90.05 -0.56 57.65 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.091 2.156 . . . . 0.0 111.129 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -95.12 -33.24 4.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 127.577 2.351 . . . . 0.0 109.176 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 m -80.86 -14.67 57.81 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.896 1.678 . . . . 0.0 113.132 170.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -87.88 -55.08 3.92 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 127.027 2.131 . . . . 0.0 112.005 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -79.13 -14.06 59.35 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 126.702 2.001 . . . . 0.0 114.587 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.3 tp -89.97 -48.35 7.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.096 1.758 . . . . 0.0 110.606 174.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.78 -115.16 0.33 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -173.98 58.32 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -145.06 -178.96 6.31 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -129.28 -15.36 4.14 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.297 1.439 . . . . 0.0 107.641 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.99 123.31 38.39 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 125.938 1.695 . . . . 0.0 107.429 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.15 146.86 5.63 Favored Glycine 0 CA--C 1.486 -1.738 0 N-CA-C 104.588 -3.405 . . . . 0.0 104.588 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -135.79 -151.34 0.41 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -155.05 175.24 14.08 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 168.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.94 -123.27 0.15 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.303 1.841 . . . . 0.0 107.175 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -84.86 -41.29 16.17 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.753 1.621 . . . . 0.0 113.579 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -144.97 -1.56 0.85 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.506 -1.235 . . . . 0.0 113.636 -164.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 pttm . . . . . 0 CA--C 1.487 -1.457 0 CA-C-N 121.58 1.991 . . . . 0.0 109.306 -175.638 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 N--CA 1.443 -0.812 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.99 139.43 27.48 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -142.41 68.13 1.32 Allowed 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 -163.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.259 1.571 0 C-N-CA 124.858 1.263 . . . . 0.0 108.219 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.17 45.48 2.61 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.415 1.486 . . . . 0.0 107.369 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.9 t -102.91 157.33 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 C-N-CA 128.681 2.793 . . . . 0.0 104.278 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -94.87 139.37 31.4 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 125.063 1.345 . . . . 0.0 110.889 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 t -144.62 148.48 34.37 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 122.078 0.942 . . . . 0.0 108.47 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -128.59 -45.12 1.34 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.173 2.189 . . . . 0.0 107.995 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 p -111.29 139.51 46.62 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 125.923 1.689 . . . . 0.0 109.675 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 t -89.93 80.79 6.37 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.749 2.02 . . . . 0.0 109.18 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -177.25 -39.25 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.584 2.354 . . . . 0.0 104.85 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 C--N 1.37 1.481 0 C-N-CA 131.105 3.762 . . . . 0.0 117.739 176.532 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 p -90.12 0.66 57.04 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.273 2.229 . . . . 0.0 111.826 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -95.05 -28.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 126.354 1.862 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.9 m -85.67 -9.1 57.72 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 124.85 1.26 . . . . 0.0 112.54 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -89.83 -34.93 15.95 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.476 2.31 . . . . 0.0 111.403 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -84.99 -26.79 26.89 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 127.31 2.244 . . . . 0.0 112.818 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.9 tp -89.91 -45.47 9.21 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.646 1.578 . . . . 0.0 110.614 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -116.6 -118.12 0.32 Allowed 'General case' 0 C--N 1.363 1.153 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -173.86 59.34 0.02 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.88 -170.71 3.47 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 105.823 -1.918 . . . . 0.0 105.823 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -132.84 -32.13 1.27 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 124.935 1.294 . . . . 0.0 108.471 -172.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 124.27 38.83 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.702 1.601 . . . . 0.0 107.701 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.49 104.63 0.18 Allowed Glycine 0 CA--C 1.49 -1.482 0 N-CA-C 105.811 -2.916 . . . . 0.0 105.811 -166.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -108.72 -147.83 0.42 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.06 2.944 . . . . 0.0 106.48 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -154.94 175.15 14.16 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.816 0.817 . . . . 0.0 110.173 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 -124.74 0.11 Allowed 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.824 2.45 . . . . 0.0 106.746 171.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -86.69 -38.14 17.28 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.368 1.467 . . . . 0.0 114.011 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HZ3' ' HB3' ' A' ' 31' ' ' LYS . 5.3 mmmp? -142.19 -7.28 0.92 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.021 -1.466 . . . . 0.0 114.338 -162.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.9 pttt . . . . . 0 CA--C 1.491 -1.316 0 CA-C-N 122.38 2.355 . . . . 0.0 109.423 177.363 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.95 141.94 29.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -144.41 64.94 1.29 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -162.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.615 0 C-N-CA 125.075 1.35 . . . . 0.0 108.226 -177.842 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.94 49.29 0.99 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -93.87 -176.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 126.207 1.803 . . . . 0.0 106.911 170.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' HG13 ' A' ' 5' ' ' VAL . 5.7 p -110.19 134.93 51.72 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -102.86 172.04 7.05 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.75 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.7 p -126.45 -56.11 1.42 Allowed 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 165.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 p -128.23 159.74 34.28 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 124.715 1.206 . . . . 0.0 108.964 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 t -90.07 83.38 6.07 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.714 2.806 . . . . 0.0 107.61 166.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttp 179.75 -45.94 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.981 -2.599 . . . . 0.0 103.981 -174.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--N 1.367 1.342 0 C-N-CA 129.369 3.067 . . . . 0.0 115.542 -173.497 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.2 m0 . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.9 p -90.04 3.78 52.2 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 127.06 2.144 . . . . 0.0 111.223 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.05 -30.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.481 2.312 . . . . 0.0 108.8 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.9 m -71.02 -19.85 62.46 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 125.74 1.616 . . . . 0.0 115.158 166.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -87.38 -40.67 14.21 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.781 2.032 . . . . 0.0 112.026 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -80.41 -20.22 44.45 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.232 2.213 . . . . 0.0 113.583 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.99 -65.47 1.01 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.568 2.347 . . . . 0.0 109.28 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -100.31 -113.7 0.18 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.806 1.642 . . . . 0.0 108.364 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -175.86 56.8 0.01 OUTLIER 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 t -145.01 -172.89 3.94 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 p -131.62 -33.0 1.45 Allowed 'General case' 0 C--N 1.359 1.001 0 C-N-CA 125.391 1.476 . . . . 0.0 107.984 -173.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.473 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -94.88 123.55 38.41 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 125.433 1.493 . . . . 0.0 107.764 -169.555 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.64 130.62 1.14 Allowed Glycine 0 CA--C 1.484 -1.892 0 N-CA-C 105.953 -2.859 . . . . 0.0 105.953 -164.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -126.29 -141.6 0.28 Allowed 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 -166.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.1 -179.85 8.46 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.3 ttt -98.83 -125.85 0.16 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.948 1.699 . . . . 0.0 107.181 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -85.45 -39.62 17.32 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.977 1.711 . . . . 0.0 113.219 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -137.53 -10.87 1.62 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.393 -1.289 . . . . 0.0 114.202 -165.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.487 -1.464 0 CA-C-N 121.607 2.003 . . . . 0.0 108.299 -170.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 CA--C 1.502 -0.875 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.18 154.87 42.88 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 176.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -142.6 61.2 1.43 Allowed 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.258 1.55 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 173.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -145.56 54.24 1.18 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.554 HG13 ' H ' ' A' ' 6' ' ' SER . 1.9 t -103.64 -169.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.234 0 C-N-CA 127.135 2.174 . . . . 0.0 105.667 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.554 ' H ' HG13 ' A' ' 5' ' ' VAL . 6.3 p -114.08 129.53 56.61 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.33 1.452 . . . . 0.0 107.96 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -137.55 151.8 48.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.16 0.981 . . . . 0.0 109.848 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 p -125.8 -44.57 1.79 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 127.393 2.277 . . . . 0.0 108.794 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.2 p -112.57 138.76 48.88 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.166 1.786 . . . . 0.0 111.117 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -86.79 84.45 7.36 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.759 2.024 . . . . 0.0 108.705 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -178.7 -39.18 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 127.815 2.446 . . . . 0.0 104.535 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.369 1.444 0 C-N-CA 129.171 2.988 . . . . 0.0 115.784 178.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 . . . . . 0 CA--C 1.52 -0.194 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 p -90.08 -7.83 52.86 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.389 2.276 . . . . 0.0 111.789 170.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.97 -29.02 4.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.391 0 C-N-CA 126.626 1.971 . . . . 0.0 109.498 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -78.51 -22.87 46.74 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 125.954 1.702 . . . . 0.0 112.518 170.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -89.19 -32.43 17.46 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.172 2.189 . . . . 0.0 111.599 -174.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.73 -25.91 32.45 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.204 1.802 . . . . 0.0 112.815 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -90.05 -50.73 5.85 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.903 2.081 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -118.22 -116.19 0.32 Allowed 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -172.07 59.17 0.03 OUTLIER 'General case' 0 C--N 1.354 0.777 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.95 160.13 41.82 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 -175.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 p -119.5 -18.0 8.58 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.695 1.998 . . . . 0.0 107.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 108.97 21.09 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.329 1.852 . . . . 0.0 106.8 -169.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.7 126.54 0.91 Allowed Glycine 0 CA--C 1.486 -1.757 0 N-CA-C 106.611 -2.596 . . . . 0.0 106.611 -166.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -127.06 -149.48 0.41 Allowed 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -169.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.02 172.96 17.25 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 32.6 ttm -99.38 -121.23 0.15 Allowed 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.224 1.81 . . . . 0.0 108.112 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -85.03 -43.2 14.15 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.616 1.567 . . . . 0.0 112.838 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -140.93 -6.55 1.1 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.562 -1.208 . . . . 0.0 113.972 -165.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 pttm . . . . . 0 CA--C 1.49 -1.354 0 CA-C-N 121.566 1.985 . . . . 0.0 108.842 -169.069 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 . . . . . 0 CA--C 1.505 -0.752 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -135.19 152.49 51.62 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 169.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -139.39 56.77 1.66 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -160.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.262 1.711 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 165.403 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -141.87 45.31 1.69 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.2 t -94.99 163.49 2.26 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 C-N-CA 128.769 2.828 . . . . 0.0 105.135 170.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 p -95.57 139.86 31.22 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.144 1.378 . . . . 0.0 110.086 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -136.18 151.35 49.63 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 122.034 0.921 . . . . 0.0 109.046 -174.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -123.34 -54.06 1.79 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.125 2.17 . . . . 0.0 108.277 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -111.44 144.2 41.04 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.259 1.824 . . . . 0.0 109.581 -171.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 p -89.88 77.19 7.01 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 125.825 1.65 . . . . 0.0 110.177 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -173.19 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.832 0 C-N-CA 129.668 3.187 . . . . 0.0 105.305 -174.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.371 1.507 0 C-N-CA 129.391 3.076 . . . . 0.0 116.333 175.467 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 p -90.03 2.61 54.99 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.179 1.792 . . . . 0.0 111.738 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -103.9 -31.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 125.631 1.572 . . . . 0.0 109.814 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.5 m -87.5 -18.52 29.65 Favored 'General case' 0 C--N 1.374 1.655 0 CA-C-N 119.79 1.177 . . . . 0.0 113.428 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -89.17 -28.98 19.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.44 1.496 . . . . 0.0 111.438 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.53 -29.02 33.69 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 127.009 2.124 . . . . 0.0 112.921 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.1 -48.26 7.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.761 1.625 . . . . 0.0 110.959 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -122.38 -116.59 0.3 Allowed 'General case' 0 C--N 1.361 1.1 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -173.09 57.77 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -145.23 173.56 11.84 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 p -132.3 0.79 3.76 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 124.895 1.278 . . . . 0.0 108.7 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 108.77 21.21 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.38 127.11 1.03 Allowed Glycine 0 CA--C 1.489 -1.591 0 N-CA-C 107.701 -2.16 . . . . 0.0 107.701 -170.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -144.97 157.35 44.16 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 102.572 -3.121 . . . . 0.0 102.572 -172.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.48 171.85 7.2 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.148 1.379 . . . . 0.0 110.556 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 ttt -96.7 -123.17 0.12 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.698 1.999 . . . . 0.0 108.65 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -84.91 -38.22 19.64 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 126.196 1.799 . . . . 0.0 113.792 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -133.02 -24.7 1.87 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -163.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.4 pttt . . . . . 0 CA--C 1.492 -1.284 0 CA-C-N 120.644 1.565 . . . . 0.0 108.892 -163.358 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.57 151.79 39.58 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.17 -2.53 . . . . 0.0 104.17 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -141.21 64.42 1.42 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 -161.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--O 1.256 1.432 0 C-N-CA 124.954 1.302 . . . . 0.0 107.999 175.53 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -129.53 49.15 2.29 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.678 1.591 . . . . 0.0 106.719 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.46 155.91 4.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 C-N-CA 128.765 2.826 . . . . 0.0 104.152 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -95.13 136.06 35.93 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.058 1.343 . . . . 0.0 110.782 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.5 t -141.97 149.16 39.72 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 122.077 0.941 . . . . 0.0 108.617 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 p -132.08 -47.86 0.93 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.653 1.981 . . . . 0.0 106.84 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 p -99.93 127.73 46.09 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.863 2.065 . . . . 0.0 109.441 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.7 p -88.7 72.72 8.63 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 127.221 2.209 . . . . 0.0 111.369 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 1.7 mtpm? -177.64 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.444 2.298 . . . . 0.0 106.674 -175.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.371 1.511 0 C-N-CA 129.001 2.92 . . . . 0.0 115.867 178.049 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.9 m0 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 p -90.05 -0.88 57.83 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.607 2.363 . . . . 0.0 111.09 171.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.07 -41.67 12.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 126.377 1.871 . . . . 0.0 108.564 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.36 -8.79 57.44 Favored 'General case' 0 C--N 1.367 1.353 0 C-N-CA 125.916 1.686 . . . . 0.0 114.878 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.98 -52.6 4.88 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 127.098 2.159 . . . . 0.0 111.067 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -77.41 -16.24 58.93 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.458 2.703 . . . . 0.0 114.829 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.88 -63.51 1.27 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.784 2.034 . . . . 0.0 108.988 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -99.66 -112.32 0.18 Allowed 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.778 1.631 . . . . 0.0 108.873 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 p30 178.3 63.73 0.01 OUTLIER 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.297 1.439 . . . . 0.0 107.33 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -145.01 -175.93 4.89 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 p -128.0 -30.43 2.46 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.511 1.125 . . . . 0.0 108.503 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.82 121.63 36.61 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.114 1.765 . . . . 0.0 107.063 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.55 103.07 0.16 Allowed Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 105.753 -2.939 . . . . 0.0 105.753 -167.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -109.86 -139.46 0.38 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.776 2.43 . . . . 0.0 106.689 -167.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 p -155.01 174.45 15.16 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-O 121.728 0.775 . . . . 0.0 109.892 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ttt -99.32 -121.56 0.15 Allowed 'General case' 0 C--N 1.363 1.192 0 C-N-CA 127.211 2.204 . . . . 0.0 107.973 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -84.81 -42.22 15.34 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.227 1.811 . . . . 0.0 113.204 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.6 -10.79 1.38 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.736 -1.126 . . . . 0.0 113.866 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 CA--C 1.496 -1.126 0 CA-C-N 121.511 1.96 . . . . 0.0 109.395 -170.2 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.428 HH21 ' HH ' ' A' ' 36' ' ' TYR . 5.9 ttp180 . . . . . 0 N--CA 1.444 -0.762 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.93 145.17 31.44 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 -169.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HH ' HH21 ' A' ' 34' ' ' ARG . 19.4 m-85 -143.87 59.66 1.37 Allowed 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -162.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.259 1.561 0 C-N-CA 125.177 1.391 . . . . 0.0 108.298 -178.809 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -131.62 51.36 2.15 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.528 1.531 . . . . 0.0 107.165 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -102.56 157.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 C-N-CA 128.54 2.736 . . . . 0.0 104.637 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -94.96 134.41 37.66 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.856 1.262 . . . . 0.0 110.464 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -141.48 149.75 41.33 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 122.293 1.044 . . . . 0.0 108.878 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -130.81 -46.92 1.04 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.128 2.171 . . . . 0.0 107.474 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -104.3 133.02 49.9 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.498 1.919 . . . . 0.0 109.607 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -85.99 76.5 9.82 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.796 2.038 . . . . 0.0 110.711 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.18 -46.79 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -175.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.37 1.479 0 C-N-CA 130.061 3.344 . . . . 0.0 116.986 -175.163 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m0 . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -89.76 10.57 22.97 Favored 'General case' 0 C--N 1.371 1.531 0 C-N-CA 127.313 2.245 . . . . 0.0 111.484 172.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.13 -42.68 12.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.273 0 C-N-CA 127.333 2.253 . . . . 0.0 106.989 169.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.91 2.17 31.77 Favored 'General case' 0 C--N 1.366 1.291 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -89.79 -44.49 9.93 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 124.994 1.317 . . . . 0.0 110.989 170.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.38 -16.68 41.94 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.35 1.86 . . . . 0.0 113.628 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -90.07 -68.2 0.8 Allowed 'General case' 0 C--N 1.365 1.265 0 C-N-CA 127.6 2.36 . . . . 0.0 109.308 171.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -104.13 -114.65 0.23 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 125.907 1.683 . . . . 0.0 108.229 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -178.13 82.18 0.02 OUTLIER 'General case' 0 C--N 1.354 0.766 0 C-N-CA 126.056 1.742 . . . . 0.0 106.682 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -134.11 176.57 8.47 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 p -144.96 28.78 1.23 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 162.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.7 126.4 22.12 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.48 156.18 26.38 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 105.006 -3.238 . . . . 0.0 105.006 -172.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -145.01 174.73 10.78 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 p -137.68 173.19 11.91 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 ttt -101.73 -122.13 0.17 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.602 1.561 . . . . 0.0 109.0 -171.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -85.03 -37.9 19.82 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.725 1.61 . . . . 0.0 112.933 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -139.12 -16.46 1.08 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.781 -1.58 . . . . 0.0 114.069 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 pttp . . . . . 0 C--N 1.366 1.296 0 CA-C-N 122.325 2.33 . . . . 0.0 110.49 -164.745 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 . . . . . 0 CA--C 1.506 -0.723 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 t -144.06 135.25 25.55 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 -171.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -139.27 83.96 1.97 Allowed 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -163.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 C--O 1.259 1.566 0 C-N-CA 124.914 1.286 . . . . 0.0 110.946 -179.048 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -148.13 57.25 1.08 Allowed 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.505 HG13 ' H ' ' A' ' 6' ' ' SER . 1.3 t -99.64 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.32 0 C-N-CA 126.451 1.9 . . . . 0.0 106.811 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.505 ' H ' HG13 ' A' ' 5' ' ' VAL . 11.3 p -109.13 133.13 53.41 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.458 1.503 . . . . 0.0 108.841 173.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -140.51 150.64 43.98 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.11 -47.89 1.01 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.141 1.776 . . . . 0.0 107.252 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -104.79 130.1 52.94 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.595 1.958 . . . . 0.0 108.736 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -88.83 77.67 7.75 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.397 1.879 . . . . 0.0 109.651 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -171.98 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.355 0.82 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--N 1.37 1.489 0 C-N-CA 131.337 3.855 . . . . 0.0 117.087 178.814 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m0 . . . . . 0 C--O 1.231 0.084 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -90.14 -2.07 58.03 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 127.526 2.33 . . . . 0.0 111.263 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.4 t -95.0 -30.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 C-N-CA 127.026 2.13 . . . . 0.0 108.936 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.6 m -74.05 -16.7 61.04 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.785 1.634 . . . . 0.0 114.496 168.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -87.18 -52.86 5.17 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.228 2.211 . . . . 0.0 111.858 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -81.24 -9.51 59.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 127.145 2.178 . . . . 0.0 114.972 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -90.01 -64.78 1.09 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 127.012 2.125 . . . . 0.0 109.072 170.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -99.45 -112.94 0.17 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.32 1.848 . . . . 0.0 108.252 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -176.47 59.04 0.01 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -144.99 178.97 7.66 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -145.11 19.0 1.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.62 124.11 44.45 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 103.719 -2.696 . . . . 0.0 103.719 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.43 122.12 0.67 Allowed Glycine 0 CA--C 1.481 -2.066 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -117.37 -143.25 0.37 Allowed 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.305 2.242 . . . . 0.0 105.35 -169.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -155.13 174.49 15.12 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 ttt -96.16 -125.48 0.13 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.138 2.175 . . . . 0.0 107.42 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -86.18 -38.29 17.83 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.46 1.504 . . . . 0.0 113.576 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -134.4 -14.8 2.23 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.6 pttt . . . . . 0 C--N 1.362 1.149 0 CA-C-N 121.567 1.985 . . . . 0.0 110.565 -167.047 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 CA--C 1.505 -0.756 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -145.01 130.63 18.92 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -134.03 63.77 1.62 Allowed 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 125.532 1.533 . . . . 0.0 107.327 -160.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 C--O 1.258 1.543 0 C-N-CA 124.561 1.144 . . . . 0.0 109.909 177.282 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.448 -0.546 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -141.01 51.39 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.558 HG13 ' H ' ' A' ' 6' ' ' SER . 1.8 t -94.08 -169.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 127.048 2.139 . . . . 0.0 107.156 172.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.558 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.8 p -115.61 133.45 56.02 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.419 1.487 . . . . 0.0 108.075 174.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -142.95 148.94 37.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p -130.41 -48.39 1.08 Allowed 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.41 1.884 . . . . 0.0 107.168 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -101.35 131.39 47.44 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 126.483 1.913 . . . . 0.0 109.782 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 p -88.82 71.78 8.62 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 127.114 2.166 . . . . 0.0 110.974 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HZ1' ' HB3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -171.1 -41.81 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -174.061 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.371 1.518 0 C-N-CA 129.923 3.289 . . . . 0.0 117.352 -179.164 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m0 . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.3 p -89.98 0.89 56.85 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.077 2.151 . . . . 0.0 111.459 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -94.91 -29.83 4.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.046 2.138 . . . . 0.0 108.72 176.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.517 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 74.7 m -75.57 -16.63 60.23 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.545 1.538 . . . . 0.0 113.856 166.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -90.01 -43.48 10.5 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 125.221 1.408 . . . . 0.0 112.764 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -90.06 -14.37 33.96 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 126.086 1.754 . . . . 0.0 114.307 -173.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.85 -63.24 1.31 Allowed 'General case' 0 C--N 1.365 1.264 0 C-N-CA 126.6 1.96 . . . . 0.0 108.975 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.532 ' HE1' ' SG ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -104.73 -113.27 0.24 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 175.551 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -177.17 65.25 0.02 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.315 0.961 . . . . 0.0 108.757 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.507 HG22 ' HG ' ' A' ' 37' ' ' SER . 5.7 t -145.11 -166.91 2.54 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.2 m -134.63 -33.05 0.98 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.569 1.548 . . . . 0.0 107.853 -173.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.9 125.27 39.45 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 124.673 1.189 . . . . 0.0 107.847 -168.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.38 133.98 1.68 Allowed Glycine 0 CA--C 1.484 -1.863 0 N-CA-C 106.321 -2.712 . . . . 0.0 106.321 -162.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -133.63 -140.35 0.19 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -169.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 p -155.1 179.28 9.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.3 ttm -96.16 -126.18 0.13 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.029 2.131 . . . . 0.0 107.27 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.51 -38.72 16.95 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.579 1.552 . . . . 0.0 113.432 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HZ3' ' HB3' ' A' ' 31' ' ' LYS . 5.3 mmmp? -142.37 -1.52 1.17 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.45 -165.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 pttp . . . . . 0 CA--C 1.492 -1.277 0 CA-C-N 122.172 2.26 . . . . 0.0 110.269 -178.497 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 . . . . . 0 CA--C 1.502 -0.874 0 N-CA-C 104.254 -2.499 . . . . 0.0 104.254 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.532 ' SG ' ' HE1' ' A' ' 21' ' ' HIS . 2.4 t -145.05 140.66 28.26 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -133.13 67.37 1.53 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 -162.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.507 ' HG ' HG22 ' A' ' 23' ' ' THR . 39.4 m . . . . . 0 C--O 1.262 1.72 0 C-N-CA 126.013 1.725 . . . . 0.0 111.135 -173.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -146.86 52.67 1.09 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.524 HG13 ' H ' ' A' ' 6' ' ' SER . 1.5 t -95.98 -172.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 126.584 1.954 . . . . 0.0 106.769 172.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.524 ' H ' HG13 ' A' ' 5' ' ' VAL . 6.3 p -112.72 132.85 55.02 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.018 1.327 . . . . 0.0 107.534 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.8 p -104.31 167.07 9.99 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 123.432 0.693 . . . . 0.0 111.48 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -131.38 -52.56 1.02 Allowed 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 168.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -123.59 158.23 31.91 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.016 1.727 . . . . 0.0 108.474 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 p -90.02 80.62 6.34 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.986 2.114 . . . . 0.0 109.959 163.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -171.57 -36.73 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 C--N 1.368 1.412 0 C-N-CA 130.685 3.594 . . . . 0.0 116.992 175.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 . . . . . 0 CA--C 1.513 -0.467 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.83 -7.03 55.25 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.067 1.747 . . . . 0.0 111.303 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.99 -31.25 4.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 C-N-CA 125.496 1.518 . . . . 0.0 109.851 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -84.84 -17.69 37.23 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.953 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -89.8 -33.36 16.55 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.173 2.189 . . . . 0.0 111.982 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -27.45 29.26 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 125.964 1.705 . . . . 0.0 112.517 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 tp -89.77 -45.35 9.35 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.692 1.997 . . . . 0.0 110.509 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -122.25 -116.67 0.3 Allowed 'General case' 0 C--N 1.362 1.112 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -173.55 63.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.266 0.0 OUTLIER -143.67 157.27 44.53 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -175.2 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -142.06 35.82 1.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.744 2.418 . . . . 0.0 104.658 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.1 107.75 6.23 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 171.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.46 126.4 0.87 Allowed Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 105.605 -2.998 . . . . 0.0 105.605 -169.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -127.05 -146.25 0.33 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 104.381 -2.451 . . . . 0.0 104.381 -168.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.2 ttt -109.03 -132.48 0.32 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -85.1 -36.03 21.41 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.783 1.633 . . . . 0.0 113.407 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HZ2' ' HB3' ' A' ' 31' ' ' LYS . 10.1 mtpm? -137.06 -7.38 1.82 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.035 -169.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 pttt . . . . . 0 CA--C 1.49 -1.328 0 CA-C-N 121.117 1.78 . . . . 0.0 109.044 -164.851 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 . . . . . 0 CA--C 1.506 -0.738 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 152.01 39.45 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -142.17 60.6 1.46 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -165.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.263 1.765 0 C-N-CA 127.782 2.433 . . . . 0.0 113.327 166.306 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -147.83 49.38 1.07 Allowed 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.58 HG13 ' H ' ' A' ' 6' ' ' SER . 2.0 t -101.01 -170.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.286 0 C-N-CA 126.307 1.843 . . . . 0.0 106.323 173.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.58 ' H ' HG13 ' A' ' 5' ' ' VAL . 10.2 p -114.49 134.32 55.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.713 1.605 . . . . 0.0 108.379 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -136.44 150.55 48.79 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -123.99 -53.05 1.75 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.197 2.199 . . . . 0.0 107.669 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -116.55 145.03 43.64 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.133 1.773 . . . . 0.0 108.885 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -89.26 70.68 8.25 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.232 2.213 . . . . 0.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.04 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.03 2.532 . . . . 0.0 105.041 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.369 1.454 0 C-N-CA 128.58 2.752 . . . . 0.0 116.463 -174.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.4 m0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 p -90.14 12.36 18.12 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.962 2.105 . . . . 0.0 111.628 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.98 -51.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 C-N-CA 127.206 2.202 . . . . 0.0 107.342 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.41 -14.96 62.77 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -86.47 -38.56 17.17 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.817 1.647 . . . . 0.0 111.416 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -84.98 -11.0 56.46 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.276 1.83 . . . . 0.0 112.942 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -89.98 -66.42 0.93 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 128.603 2.761 . . . . 0.0 110.148 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -109.35 -112.59 0.31 Allowed 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.667 1.987 . . . . 0.0 107.04 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -172.71 55.57 0.02 OUTLIER 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.02 150.67 37.29 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -112.68 -15.74 12.93 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 126.11 1.764 . . . . 0.0 107.384 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.93 108.12 20.16 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 127.179 2.192 . . . . 0.0 105.981 -176.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.72 109.99 0.23 Allowed Glycine 0 CA--C 1.488 -1.619 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 -165.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -114.13 -140.92 0.38 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.213 2.205 . . . . 0.0 106.597 -165.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 p -155.1 174.22 15.5 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 121.515 0.674 . . . . 0.0 110.441 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.3 ttm -94.97 -121.47 0.1 Allowed 'General case' 0 C--N 1.366 1.313 0 C-N-CA 127.432 2.293 . . . . 0.0 108.263 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.02 -41.06 16.15 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.741 1.617 . . . . 0.0 113.502 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -139.76 -12.3 1.14 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -166.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 pttt . . . . . 0 CA--C 1.492 -1.256 0 CA-C-N 121.485 1.948 . . . . 0.0 108.967 -166.229 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 . . . . . 0 CA--C 1.505 -0.783 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.65 149.03 35.01 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 -173.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.05 65.41 1.26 Allowed 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -163.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.257 1.478 0 C-N-CA 125.073 1.349 . . . . 0.0 112.468 -175.382 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -141.09 57.88 1.54 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.537 HG13 ' H ' ' A' ' 6' ' ' SER . 2.2 t -104.28 -167.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 127.391 2.276 . . . . 0.0 105.655 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.537 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.2 p -120.5 128.39 53.08 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.656 1.583 . . . . 0.0 107.537 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -141.0 152.27 44.78 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -125.7 -46.4 1.73 Allowed 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.404 1.882 . . . . 0.0 109.398 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 p -112.46 131.58 55.5 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.024 1.73 . . . . 0.0 108.131 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -40.05 -54.89 2.18 Favored 'General case' 0 C--N 1.369 1.43 0 N-CA-C 118.96 2.948 . . . . 0.0 118.96 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.81 -33.95 64.91 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 131.386 3.875 . . . . 0.0 115.965 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 C--N 1.371 1.501 0 C-N-CA 130.344 3.458 . . . . 0.0 118.403 178.292 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.9 m0 . . . . . 0 N--CA 1.466 0.347 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 p -89.93 1.16 56.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.816 2.046 . . . . 0.0 111.147 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -95.09 -33.97 5.17 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 C-N-CA 126.97 2.108 . . . . 0.0 109.451 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.74 -19.06 38.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.663 1.985 . . . . 0.0 113.527 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -89.57 -38.45 13.96 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.058 2.143 . . . . 0.0 111.185 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -89.87 -16.64 29.63 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.848 1.659 . . . . 0.0 112.928 -177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -90.2 -47.15 7.97 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 126.642 1.977 . . . . 0.0 111.253 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -118.28 -117.83 0.32 Allowed 'General case' 0 C--N 1.363 1.175 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -170.02 61.29 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -168.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -144.98 -163.92 1.81 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 103.075 -2.935 . . . . 0.0 103.075 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 p -144.93 3.67 1.08 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.262 0.937 . . . . 0.0 109.305 170.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.91 177.11 4.74 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.475 1.51 . . . . 0.0 107.21 -170.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.13 -178.45 35.28 Favored Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 105.954 -2.859 . . . . 0.0 105.954 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -145.01 -156.37 0.69 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 101.908 -3.368 . . . . 0.0 101.908 164.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 p -153.86 172.7 16.96 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 163.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.2 ttt -99.72 -121.47 0.15 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.552 1.541 . . . . 0.0 108.401 -172.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -84.91 -41.89 15.52 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.28 1.432 . . . . 0.0 112.403 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -144.76 -0.88 0.9 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.685 -165.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 CA--C 1.489 -1.38 0 CA-C-N 122.053 2.206 . . . . 0.0 109.087 -173.531 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 22.0 ttt180 . . . . . 0 CA--C 1.508 -0.663 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.456 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.01 142.59 29.91 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 -170.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -144.9 80.63 1.63 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.261 1.682 0 C-N-CA 126.055 1.742 . . . . 0.0 107.588 176.615 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.231 0.086 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -151.74 49.43 0.8 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 6' ' ' SER . 1.6 t -97.77 -171.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 125.781 1.632 . . . . 0.0 107.007 175.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.552 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.2 p -112.12 131.35 55.5 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.573 1.549 . . . . 0.0 108.37 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.9 t -136.72 155.56 49.7 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 121.832 0.825 . . . . 0.0 109.31 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -125.48 -52.65 1.6 Allowed 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.087 2.155 . . . . 0.0 108.585 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 p -109.22 144.71 36.97 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.101 1.76 . . . . 0.0 110.595 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 p -86.14 76.77 9.71 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.134 1.773 . . . . 0.0 109.99 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -174.38 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.837 2.455 . . . . 0.0 105.85 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.37 1.475 0 C-N-CA 129.503 3.121 . . . . 0.0 117.683 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 119.352 -0.356 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 p -89.95 -0.35 57.52 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.431 1.892 . . . . 0.0 111.772 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.5 t -96.74 -42.8 12.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 126.145 1.778 . . . . 0.0 108.503 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 m -75.5 -12.31 60.21 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.175 1.79 . . . . 0.0 115.78 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.13 -38.35 14.38 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.95 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -79.01 -25.48 43.29 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.092 1.357 . . . . 0.0 113.991 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.09 -73.16 0.53 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 126.678 1.991 . . . . 0.0 110.985 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -95.06 -23.53 17.3 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.687 1.595 . . . . 0.0 114.158 -165.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.485 16.0 p30 67.88 58.61 0.48 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 130.012 3.325 . . . . 0.0 114.056 -172.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 t -145.05 -177.04 5.34 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.3 p -145.03 32.2 1.12 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 111.02 15.52 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 173.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.6 132.68 1.52 Allowed Glycine 0 CA--C 1.489 -1.579 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -133.74 -178.61 5.09 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 p -127.83 172.15 11.12 Favored 'General case' 0 C--N 1.36 1.043 0 O-C-N 120.828 -1.17 . . . . 0.0 110.147 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.2 ttt -97.27 -121.96 0.13 Allowed 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -85.04 -42.64 14.66 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.375 1.47 . . . . 0.0 113.049 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -142.03 -4.11 1.06 Allowed 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -165.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 pttm . . . . . 0 CA--C 1.491 -1.32 0 CA-C-N 121.54 1.973 . . . . 0.0 108.537 -169.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 . . . . . 0 N--CA 1.441 -0.894 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.66 150.78 39.23 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -140.57 60.31 1.53 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -162.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.26 1.656 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 175.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -147.59 54.33 1.06 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.513 HG13 ' H ' ' A' ' 6' ' ' SER . 1.4 t -96.83 -170.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.318 0 C-N-CA 126.654 1.981 . . . . 0.0 107.02 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.513 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.5 p -111.09 131.79 54.79 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 125.418 1.487 . . . . 0.0 108.814 173.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 t -138.94 150.64 46.13 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 121.94 0.876 . . . . 0.0 108.685 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.69 -49.08 1.15 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 126.288 1.835 . . . . 0.0 107.315 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -103.18 129.04 49.97 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.817 2.047 . . . . 0.0 109.367 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 p -86.34 72.96 10.25 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 126.968 2.107 . . . . 0.0 111.348 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -175.79 -31.36 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.984 2.113 . . . . 0.0 107.351 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 C--N 1.37 1.497 0 C-N-CA 129.019 2.928 . . . . 0.0 116.422 177.919 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.3 m0 . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 p -90.05 -2.04 58.05 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 127.576 2.351 . . . . 0.0 111.542 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.18 -34.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 C-N-CA 126.9 2.08 . . . . 0.0 108.698 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 m -69.28 -22.74 63.79 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.981 2.112 . . . . 0.0 114.228 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -45.47 10.43 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.652 2.381 . . . . 0.0 112.714 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -25.42 36.56 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.665 1.986 . . . . 0.0 113.842 -176.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.53 -61.18 1.86 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.877 2.071 . . . . 0.0 109.541 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.405 ' CE1' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -99.97 -115.6 0.16 Allowed 'General case' 0 C--N 1.363 1.194 0 C-N-CA 124.675 1.19 . . . . 0.0 107.87 170.767 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -177.74 58.57 0.01 OUTLIER 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 t -145.06 -178.35 6.0 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.2 m -129.96 -15.04 3.88 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 125.223 1.409 . . . . 0.0 108.341 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.82 112.53 24.25 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.859 1.664 . . . . 0.0 106.812 -169.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.85 133.96 1.57 Allowed Glycine 0 CA--C 1.482 -2.005 0 N-CA-C 107.235 -2.346 . . . . 0.0 107.235 -167.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -132.41 -139.62 0.2 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 104.603 -2.369 . . . . 0.0 104.603 -166.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 p -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.499 -1.019 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.8 ttt -95.31 -123.96 0.11 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.518 2.327 . . . . 0.0 107.496 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -85.33 -43.19 13.92 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.634 1.973 . . . . 0.0 113.242 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -140.98 -3.11 1.26 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.879 -1.058 . . . . 0.0 113.617 -163.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 CA--C 1.493 -1.241 0 CA-C-N 121.539 1.972 . . . . 0.0 109.436 -171.546 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 . . . . . 0 CA--C 1.501 -0.911 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.405 ' SG ' ' CE1' ' A' ' 21' ' ' HIS . 1.8 t -145.13 151.23 38.15 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.56 61.65 1.47 Allowed 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 -161.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.257 1.498 0 C-N-CA 125.728 1.611 . . . . 0.0 106.996 176.206 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.02 48.2 0.99 Allowed 'General case' 0 C--N 1.357 0.93 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.548 HG13 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.84 -171.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.42 0 C-N-CA 125.853 1.661 . . . . 0.0 107.543 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.548 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.8 p -108.5 134.83 50.73 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.367 1.467 . . . . 0.0 108.375 175.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -137.4 152.22 49.4 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.028 0.918 . . . . 0.0 109.066 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 p -130.19 -49.06 1.1 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.042 2.137 . . . . 0.0 107.471 172.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.1 p -106.35 138.92 41.66 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.46 1.904 . . . . 0.0 110.379 -172.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 p -88.75 83.69 6.7 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 125.482 1.513 . . . . 0.0 109.73 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -175.02 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.276 2.63 . . . . 0.0 105.183 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.37 1.485 0 C-N-CA 130.335 3.454 . . . . 0.0 116.674 174.611 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -89.93 4.81 48.89 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.37 1.868 . . . . 0.0 112.023 172.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.72 -28.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.22 0 C-N-CA 124.949 1.3 . . . . 0.0 109.999 173.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.2 m -84.47 -17.57 38.66 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.171 1.388 . . . . 0.0 112.275 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -90.08 -28.5 18.97 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.306 1.842 . . . . 0.0 111.899 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -89.56 -21.73 22.73 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.23 1.412 . . . . 0.0 113.542 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -89.89 -50.94 5.74 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 125.394 1.477 . . . . 0.0 109.729 171.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 -114.51 0.31 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -173.32 58.02 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -173.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -145.02 171.61 14.22 Favored 'General case' 0 C--N 1.361 1.074 0 O-C-N 121.268 -0.895 . . . . 0.0 108.999 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.0 p -145.09 37.97 1.16 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -167.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.2 116.48 12.64 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 102.911 -2.996 . . . . 0.0 102.911 165.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.51 132.27 1.46 Allowed Glycine 0 C--N 1.35 1.322 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -172.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 159.24 43.25 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 102.768 -3.049 . . . . 0.0 102.768 -171.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 p -108.47 172.77 6.65 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.643 1.177 . . . . 0.0 110.477 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ttt -97.1 -121.88 0.12 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.195 1.798 . . . . 0.0 108.274 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -85.28 -39.19 18.0 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.652 1.581 . . . . 0.0 114.208 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -136.51 -20.73 1.36 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -160.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.485 -1.536 0 CA-C-N 121.26 1.846 . . . . 0.0 107.36 -167.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 . . . . . 0 N--CA 1.443 -0.823 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.09 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -178.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -145.12 61.87 1.3 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 -165.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.258 1.528 0 C-N-CA 125.665 1.586 . . . . 0.0 109.38 -176.288 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -137.87 54.5 1.8 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 124.882 1.273 . . . . 0.0 108.28 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.551 HG13 ' H ' ' A' ' 6' ' ' SER . 2.0 t -102.29 -167.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 126.864 2.066 . . . . 0.0 106.158 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.551 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.9 p -116.56 132.17 56.75 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.476 1.51 . . . . 0.0 108.31 173.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -145.82 148.65 33.13 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.86 0.838 . . . . 0.0 109.175 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -129.01 -44.61 1.29 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 126.743 2.017 . . . . 0.0 108.362 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -109.73 140.02 44.11 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.004 1.722 . . . . 0.0 109.808 -175.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.9 t -86.84 77.92 9.16 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.798 2.039 . . . . 0.0 109.598 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -174.64 -43.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.109 2.164 . . . . 0.0 105.221 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.372 1.576 0 C-N-CA 131.012 3.725 . . . . 0.0 118.832 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 19.3 m0 . . . . . 0 CA--C 1.519 -0.236 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 p -89.88 -0.49 57.59 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.927 2.091 . . . . 0.0 111.142 172.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.2 t -95.34 -41.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 125.997 1.719 . . . . 0.0 109.243 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -82.76 -4.83 58.47 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 126.055 1.742 . . . . 0.0 113.946 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.147 2.179 . . . . 0.0 111.326 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -89.33 -12.08 41.54 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.192 1.797 . . . . 0.0 113.585 -173.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -90.07 -48.35 7.25 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.336 1.854 . . . . 0.0 110.191 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -109.83 -116.05 0.3 Allowed 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.4 1.48 . . . . 0.0 107.269 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -173.0 57.42 0.02 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -170.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -144.71 -156.95 0.74 Allowed 'General case' 0 C--N 1.359 0.995 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 175.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -145.1 -2.42 0.8 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-N 120.092 1.314 . . . . 0.0 110.751 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.77 -170.52 1.88 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.946 1.298 . . . . 0.0 108.621 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.2 168.04 16.52 Favored Glycine 0 N--CA 1.433 -1.566 0 N-CA-C 103.475 -3.85 . . . . 0.0 103.475 -166.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -144.9 170.66 15.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 101.565 -3.494 . . . . 0.0 101.565 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.0 p -133.88 173.43 11.56 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -121.81 0.15 Allowed 'General case' 0 C--N 1.363 1.178 0 C-N-CA 126.184 1.794 . . . . 0.0 107.096 -171.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -85.46 -43.66 13.4 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 124.421 1.088 . . . . 0.0 112.747 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -144.95 3.99 1.09 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.76 -1.114 . . . . 0.0 113.931 -165.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 pttp . . . . . 0 CA--C 1.487 -1.456 0 CA-C-N 121.556 1.98 . . . . 0.0 110.122 -177.39 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.55 135.21 24.73 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -166.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -144.86 92.68 2.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 -168.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.26 1.645 0 N-CA-C 106.387 -1.708 . . . . 0.0 106.387 -178.77 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -142.22 52.27 1.47 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.52 HG13 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.41 -172.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.725 2.01 . . . . 0.0 107.001 172.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.52 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.0 p -113.25 132.12 55.65 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.126 1.37 . . . . 0.0 107.537 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.0 p -105.35 170.52 7.83 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.752 0.821 . . . . 0.0 110.8 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 p -132.85 -52.75 0.92 Allowed 'General case' 0 C--N 1.357 0.91 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 168.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -121.18 157.15 30.83 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.252 1.821 . . . . 0.0 108.015 -176.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.3 m -90.08 72.76 7.32 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.107 2.163 . . . . 0.0 109.784 165.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -163.29 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.15 2.58 . . . . 0.0 106.201 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--N 1.368 1.404 0 C-N-CA 130.318 3.447 . . . . 0.0 115.626 177.121 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 . . . . . 0 CA--C 1.515 -0.372 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.7 p -89.95 -3.3 58.1 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 126.32 1.848 . . . . 0.0 111.335 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 t -96.89 -29.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 C-N-CA 125.755 1.622 . . . . 0.0 109.726 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.2 m -80.81 -17.77 49.7 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -89.76 -35.45 15.72 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.733 1.613 . . . . 0.0 111.45 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -19.93 46.3 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.245 1.818 . . . . 0.0 113.786 -176.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.06 -67.97 0.81 Allowed 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.6 2.36 . . . . 0.0 109.903 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -102.73 -114.83 0.21 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.401 1.88 . . . . 0.0 108.255 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -175.55 58.18 0.02 OUTLIER 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.99 176.93 9.13 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.3 m -127.85 -16.79 4.59 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 124.015 0.926 . . . . 0.0 108.851 -175.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 118.21 31.44 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -172.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.36 131.61 1.27 Allowed Glycine 0 CA--C 1.487 -1.714 0 N-CA-C 104.944 -3.262 . . . . 0.0 104.944 -166.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -129.09 -146.0 0.31 Allowed 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -152.94 174.88 13.57 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 -175.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -107.12 -128.82 0.27 Allowed 'General case' 0 C--N 1.36 1.063 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.92 -42.59 14.85 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.968 1.707 . . . . 0.0 113.058 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -142.32 4.45 1.59 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.62 1.168 . . . . 0.0 112.049 -166.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.9 pttt . . . . . 0 CA--C 1.491 -1.319 0 CA-C-N 121.034 1.743 . . . . 0.0 109.037 -173.103 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 . . . . . 0 CA--C 1.504 -0.789 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -145.06 137.88 26.3 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -135.97 73.06 1.45 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 -164.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.261 1.669 0 C-N-CA 125.27 1.428 . . . . 0.0 110.185 -177.874 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.89 53.3 0.92 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.559 HG13 ' H ' ' A' ' 6' ' ' SER . 1.7 t -99.57 -169.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.117 1.767 . . . . 0.0 106.836 173.089 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.559 ' H ' HG13 ' A' ' 5' ' ' VAL . 9.7 p -114.83 135.66 53.94 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.618 1.567 . . . . 0.0 108.45 174.07 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 t -144.66 148.54 34.39 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -130.41 -47.21 1.08 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 126.562 1.945 . . . . 0.0 107.3 175.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -104.59 129.37 52.7 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.49 1.916 . . . . 0.0 108.698 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -87.53 72.18 9.67 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.68 1.992 . . . . 0.0 111.116 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -172.74 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 126.48 1.912 . . . . 0.0 107.131 -178.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--N 1.373 1.591 0 C-N-CA 130.384 3.474 . . . . 0.0 116.791 172.151 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 p -90.03 0.5 57.08 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 126.792 2.037 . . . . 0.0 111.389 171.45 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.07 -38.18 8.58 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 C-N-CA 126.921 2.089 . . . . 0.0 108.917 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.3 m -79.61 -11.13 59.88 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.005 1.722 . . . . 0.0 114.305 171.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -89.55 -50.16 6.25 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.864 2.065 . . . . 0.0 112.161 -176.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -80.89 -18.74 46.23 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.61 1.964 . . . . 0.0 114.006 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -90.0 -43.14 10.73 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.23 1.812 . . . . 0.0 110.778 178.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -119.36 -115.38 0.32 Allowed 'General case' 0 C--N 1.363 1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -177.06 58.8 0.01 OUTLIER 'General case' 0 C--N 1.353 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 107.617 -175.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.589 ' HG1' HH21 ' A' ' 25' ' ' ARG . 2.9 t -145.03 178.68 7.87 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 178.212 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.1 m -122.16 -15.1 7.81 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 107.997 175.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.589 HH21 ' HG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -94.97 109.36 21.39 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.549 1.939 . . . . 0.0 106.881 -169.117 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.83 112.56 0.33 Allowed Glycine 0 CA--C 1.486 -1.767 0 N-CA-C 106.922 -2.471 . . . . 0.0 106.922 -172.085 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HZ2' ' HB3' ' A' ' 27' ' ' LYS . 5.3 mtpm? -114.03 -146.78 0.41 Allowed 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.034 2.134 . . . . 0.0 105.563 -170.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 p -155.01 176.39 12.6 Favored 'General case' 0 CA--C 1.495 -1.171 0 CA-C-O 121.428 0.632 . . . . 0.0 109.608 175.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 ttm -97.1 -124.06 0.13 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.697 1.999 . . . . 0.0 107.778 174.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.24 -41.13 15.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.204 1.401 . . . . 0.0 113.516 176.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -145.07 4.16 1.07 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -164.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttm . . . . . 0 CA--C 1.487 -1.449 0 CA-C-N 121.546 1.975 . . . . 0.0 109.282 179.199 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 140.8 28.48 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 175.557 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -124.21 -14.27 7.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.714 1.606 . . . . 0.0 108.77 -162.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . 0.287 60.5 p . . . . . 0 C--O 1.26 1.657 0 C-N-CA 129.86 3.264 . . . . 0.0 116.96 174.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -138.56 52.27 1.81 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.547 HG13 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.22 -169.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 127.009 2.124 . . . . 0.0 106.733 174.466 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.547 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.6 p -118.61 130.7 56.02 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 172.324 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 p -101.89 173.09 6.55 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.738 0.815 . . . . 0.0 111.103 -178.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 p -124.77 -56.77 1.57 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 171.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.456 ' HB ' ' HZ2' ' A' ' 11' ' ' LYS . 22.7 p -131.07 159.62 37.06 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.767 1.627 . . . . 0.0 106.99 -178.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -90.04 57.8 3.92 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.907 2.483 . . . . 0.0 111.749 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HZ2' ' HB ' ' A' ' 9' ' ' THR . 22.3 pttm -168.33 -33.33 0.02 OUTLIER 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.844 1.658 . . . . 0.0 109.248 -173.819 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.371 1.506 0 C-N-CA 128.103 2.561 . . . . 0.0 114.784 -179.413 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.8 m0 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 p -89.99 -2.62 58.18 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 126.978 2.111 . . . . 0.0 111.141 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.93 -24.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.407 2.283 . . . . 0.0 109.082 177.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -72.37 -29.57 63.9 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.673 1.589 . . . . 0.0 113.174 165.136 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -89.06 -36.36 15.81 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 127.303 2.241 . . . . 0.0 113.161 -169.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -83.86 -19.17 35.33 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.857 2.063 . . . . 0.0 113.327 -177.159 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.13 -61.91 1.58 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.901 2.481 . . . . 0.0 108.889 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -106.21 -112.74 0.27 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.903 1.681 . . . . 0.0 108.671 -177.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -175.72 57.8 0.01 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.298 1.439 . . . . 0.0 107.217 -173.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.76 44.02 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -172.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -126.21 -6.73 6.53 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 126.534 1.933 . . . . 0.0 107.814 178.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.05 112.87 24.53 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.614 1.965 . . . . 0.0 107.265 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.77 163.36 36.84 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 106.171 -2.771 . . . . 0.0 106.171 -169.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -144.98 -150.36 0.32 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.09 175.25 14.08 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 172.714 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 ttt -105.72 -130.2 0.28 Allowed 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -175.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -84.99 -37.91 19.88 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.572 1.549 . . . . 0.0 112.934 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -140.91 -3.05 1.27 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.101 -1.428 . . . . 0.0 113.084 -170.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt . . . . . 0 CA--C 1.487 -1.459 0 CA-C-N 122.379 2.354 . . . . 0.0 108.353 -171.763 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 . . . . . 0 CA--C 1.507 -0.702 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -145.11 140.17 27.84 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 -175.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -130.27 40.9 3.47 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 126.247 1.819 . . . . 0.0 106.167 -160.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.26 1.613 0 C-N-CA 126.138 1.775 . . . . 0.0 109.642 177.931 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.45 -0.473 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -141.91 56.16 1.48 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 -178.3 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.55 HG13 ' H ' ' A' ' 6' ' ' SER . 2.4 t -97.74 -168.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 127.348 2.259 . . . . 0.0 106.295 176.415 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.55 ' H ' HG13 ' A' ' 5' ' ' VAL . 6.3 p -122.39 130.01 52.67 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 172.023 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.36 175.45 5.47 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 123.658 0.783 . . . . 0.0 110.594 -177.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -130.11 -55.36 1.11 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 164.048 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -122.9 151.95 41.26 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.465 1.506 . . . . 0.0 107.943 -177.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -89.9 71.68 7.54 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 127.739 2.416 . . . . 0.0 110.596 173.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -170.09 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 -176.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.369 1.432 0 C-N-CA 130.891 3.676 . . . . 0.0 115.927 177.14 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.3 m0 . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 p -90.04 8.3 33.26 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.383 2.273 . . . . 0.0 111.044 173.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.08 -43.04 12.86 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 126.725 2.01 . . . . 0.0 108.187 171.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 m -85.19 -5.68 59.32 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 124.602 1.161 . . . . 0.0 114.088 179.056 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -89.96 -37.5 14.31 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.743 2.017 . . . . 0.0 111.793 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.43 -12.48 43.03 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.897 2.079 . . . . 0.0 112.608 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.95 -65.66 1.0 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 128.301 2.641 . . . . 0.0 110.549 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -101.62 -112.57 0.2 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.801 2.04 . . . . 0.0 107.444 -174.181 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.98 57.98 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.98 173.22 12.06 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -179.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 p -144.98 23.61 1.52 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 178.386 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.39 123.72 48.26 Favored 'General case' 0 C--N 1.366 1.303 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 170.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.12 160.76 34.43 Favored Glycine 0 CA--C 1.482 -1.996 0 N-CA-C 104.14 -3.584 . . . . 0.0 104.14 -173.193 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 -170.2 3.36 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 176.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.1 155.64 34.39 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 101.848 -3.39 . . . . 0.0 101.848 174.357 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 ttp -99.45 -122.61 0.15 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 124.472 1.109 . . . . 0.0 108.618 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -85.09 -37.21 20.56 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.235 1.014 . . . . 0.0 113.537 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -136.81 -20.7 1.29 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.829 -166.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.0 pttt . . . . . 0 C--N 1.365 1.274 0 CA-C-N 121.139 1.79 . . . . 0.0 109.141 -168.774 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 15.6 ttm105 . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.564 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -144.76 143.81 30.86 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 102.985 -2.968 . . . . 0.0 102.985 -169.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -145.07 64.75 1.27 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -169.108 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.259 1.588 0 C-N-CA 125.505 1.522 . . . . 0.0 110.86 -180.0 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.32 49.05 1.84 Allowed 'General case' 0 C--N 1.359 1.009 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 175.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.1 t -102.93 159.92 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 C-N-CA 128.849 2.859 . . . . 0.0 104.318 173.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 p -95.18 139.96 30.77 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 124.994 1.317 . . . . 0.0 110.821 -179.387 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -144.65 151.15 38.54 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -176.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.39 -47.76 0.99 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.342 1.857 . . . . 0.0 107.099 174.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.441 ' HG1' ' HB2' ' A' ' 12' ' ' GLU . 12.3 p -104.45 131.08 52.21 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.426 1.891 . . . . 0.0 109.267 -177.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -88.66 74.21 8.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 127.258 2.223 . . . . 0.0 110.3 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -173.44 -43.29 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -169.189 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HB2' ' HG1' ' A' ' 9' ' ' THR . 2.4 tm-20 . . . . . 0 C--N 1.371 1.509 0 C-N-CA 129.323 3.049 . . . . 0.0 116.016 -178.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.1 m0 . . . . . 0 CA--C 1.523 -0.061 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -90.03 13.8 13.91 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 111.623 170.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.55 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 126.332 1.853 . . . . 0.0 109.176 172.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.82 -16.08 58.59 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 120.051 1.296 . . . . 0.0 114.3 172.087 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -90.04 -34.99 15.74 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.855 2.062 . . . . 0.0 112.572 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.81 -16.39 30.28 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 126.229 1.812 . . . . 0.0 113.344 -176.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.93 -61.97 1.57 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.07 2.148 . . . . 0.0 109.049 176.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -100.68 -114.54 0.18 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 125.838 1.655 . . . . 0.0 108.076 -178.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -177.73 61.27 0.01 OUTLIER 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -175.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -145.0 -167.21 2.61 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.2 p -135.42 -13.92 2.0 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 123.818 0.847 . . . . 0.0 109.779 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.01 115.52 27.53 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 124.859 1.264 . . . . 0.0 107.669 -172.223 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.44 107.17 0.24 Allowed Glycine 0 CA--C 1.483 -1.91 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -171.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -107.97 -149.47 0.43 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.328 1.851 . . . . 0.0 106.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -155.02 174.75 14.73 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.063 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -119.32 0.1 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.753 1.621 . . . . 0.0 108.726 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -85.01 -41.24 16.0 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.934 1.294 . . . . 0.0 113.529 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -140.12 -11.58 1.1 Allowed 'General case' 0 C--N 1.356 0.887 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -163.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? . . . . . 0 C--N 1.366 1.283 0 CA-C-N 121.765 2.075 . . . . 0.0 109.838 -174.175 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 . . . . . 0 N--CA 1.44 -0.961 0 N-CA-C 104.938 -2.245 . . . . 0.0 104.938 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.99 140.68 28.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 -177.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -131.11 34.22 4.06 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.914 2.086 . . . . 0.0 106.291 -162.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.26 1.622 0 C-N-CA 127.233 2.213 . . . . 0.0 111.643 -178.324 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -135.83 49.97 2.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.7 t -103.93 155.42 5.73 Favored 'Isoleucine or valine' 0 C--N 1.363 1.156 0 C-N-CA 128.413 2.685 . . . . 0.0 104.289 171.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -95.11 137.9 33.54 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.179 1.392 . . . . 0.0 110.163 -179.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -141.49 147.79 38.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 122.374 1.083 . . . . 0.0 108.776 -176.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 p -132.33 -45.91 0.91 Allowed 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.091 2.156 . . . . 0.0 107.348 175.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.536 ' HG1' ' HB2' ' A' ' 12' ' ' GLU . 6.1 p -105.22 132.72 51.07 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.526 1.93 . . . . 0.0 108.708 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 p -89.85 72.98 7.53 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 126.499 1.92 . . . . 0.0 111.203 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -173.51 -35.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 105.994 -178.261 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.536 ' HB2' ' HG1' ' A' ' 9' ' ' THR . 22.2 tt0 . . . . . 0 C--N 1.371 1.508 1 C-N-CA 131.709 4.004 . . . . 0.0 117.963 172.29 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.8 m0 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 p -90.0 6.92 40.14 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 127.663 2.385 . . . . 0.0 111.731 169.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.4 -36.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.074 1.749 . . . . 0.0 109.132 173.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 m -81.57 -7.67 59.62 Favored 'General case' 0 C--N 1.372 1.56 0 C-N-CA 125.949 1.699 . . . . 0.0 113.501 173.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -89.87 -35.53 15.58 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.149 2.18 . . . . 0.0 111.303 174.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -89.61 -24.46 21.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.565 1.946 . . . . 0.0 113.505 -177.07 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -90.14 -43.69 10.28 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.963 1.705 . . . . 0.0 110.406 178.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -115.09 -119.04 0.31 Allowed 'General case' 0 C--N 1.362 1.132 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -175.21 62.42 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -177.013 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -144.7 -170.58 3.43 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 p -128.64 -35.97 1.88 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 128.02 41.33 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.996 1.718 . . . . 0.0 108.038 -172.326 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.53 100.71 0.14 Allowed Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 105.88 -2.888 . . . . 0.0 105.88 -168.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -106.95 -143.35 0.38 Allowed 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.762 2.425 . . . . 0.0 107.996 -167.072 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 p -155.16 175.14 14.23 Favored 'General case' 0 CA--C 1.495 -1.155 0 C-N-CA 123.696 0.798 . . . . 0.0 108.93 176.074 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -98.42 -118.75 0.14 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.4 1.88 . . . . 0.0 107.661 171.054 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.1 p30 -88.34 -33.64 17.9 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 125.057 1.343 . . . . 0.0 114.429 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -131.56 -35.11 1.32 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -164.144 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttm . . . . . 0 CA--C 1.494 -1.179 0 CA-C-N 120.548 1.522 . . . . 0.0 109.034 -166.368 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 142.08 29.53 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 -178.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -144.79 61.69 1.32 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 -163.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 p . . . . . 0 C--O 1.259 1.596 0 C-N-CA 125.265 1.426 . . . . 0.0 110.949 -178.328 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -145.36 52.95 1.19 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.551 HG13 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.16 -172.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.406 0 C-N-CA 125.776 1.631 . . . . 0.0 107.129 170.199 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.551 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.4 p -111.91 132.51 54.69 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.582 1.553 . . . . 0.0 108.062 174.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -137.97 153.47 49.44 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 121.933 0.873 . . . . 0.0 109.815 -177.272 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.1 p -125.81 -47.42 1.67 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.253 2.221 . . . . 0.0 108.752 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 p -112.22 141.23 46.17 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 125.759 1.624 . . . . 0.0 110.765 -170.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 p -86.93 74.34 9.76 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.639 1.976 . . . . 0.0 110.907 177.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -173.94 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.355 0.848 0 C-N-CA 127.423 2.289 . . . . 0.0 105.445 -173.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.369 1.431 0 C-N-CA 130.154 3.382 . . . . 0.0 117.567 177.639 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -90.03 -7.09 54.75 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.095 2.158 . . . . 0.0 111.692 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.99 -35.37 6.02 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 C-N-CA 125.469 1.508 . . . . 0.0 109.536 -176.366 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -82.4 -11.48 58.52 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.03 1.332 . . . . 0.0 113.815 175.36 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -87.95 -40.57 13.81 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 125.351 1.46 . . . . 0.0 110.947 173.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.59 58.99 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.349 1.86 . . . . 0.0 113.82 -176.276 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.02 -42.09 11.34 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.965 2.106 . . . . 0.0 111.416 -178.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -118.88 -119.08 0.31 Allowed 'General case' 0 C--N 1.363 1.18 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -178.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.92 56.35 0.02 OUTLIER 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.715 1.606 . . . . 0.0 106.706 -177.388 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 t -145.05 -179.99 6.98 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 p -128.75 -11.47 4.9 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.897 0.879 . . . . 0.0 108.69 -178.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.88 117.46 30.17 Favored 'General case' 0 C--N 1.367 1.352 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -173.054 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.11 124.87 0.76 Allowed Glycine 0 CA--C 1.486 -1.763 0 N-CA-C 106.339 -2.704 . . . . 0.0 106.339 -170.642 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -127.86 -149.5 0.41 Allowed 'General case' 0 C--N 1.358 0.968 0 N-CA-C 104.399 -2.445 . . . . 0.0 104.399 -170.249 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 p -155.09 175.81 13.35 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ttp -98.61 -128.26 0.18 Allowed 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.91 2.084 . . . . 0.0 107.213 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 -36.55 20.13 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.68 1.192 . . . . 0.0 114.008 175.186 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -140.46 -3.74 1.31 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-O 117.384 -1.293 . . . . 0.0 113.989 -166.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 CA--C 1.492 -1.279 0 CA-C-N 122.02 2.191 . . . . 0.0 110.045 -174.385 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 . . . . . 0 CA--C 1.508 -0.659 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 t -145.03 141.59 29.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -140.67 69.59 1.35 Allowed 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -165.097 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.258 1.547 0 C-N-CA 125.254 1.422 . . . . 0.0 111.06 -175.612 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -146.69 52.56 1.1 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.503 HG13 ' H ' ' A' ' 6' ' ' SER . 1.2 t -93.33 -173.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.313 1.845 . . . . 0.0 107.461 170.707 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.503 ' H ' HG13 ' A' ' 5' ' ' VAL . 6.8 p -114.96 130.48 56.93 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.07 1.348 . . . . 0.0 107.658 173.246 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.59 173.17 6.46 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 123.637 0.775 . . . . 0.0 111.768 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 p -123.25 -57.79 1.66 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 169.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 p -132.85 159.01 41.06 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 126.009 1.724 . . . . 0.0 107.251 -176.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 m -90.04 62.39 5.55 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.847 2.459 . . . . 0.0 111.181 175.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -165.45 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.267 1.827 . . . . 0.0 107.58 -178.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.37 1.498 0 C-N-CA 129.629 3.172 . . . . 0.0 115.493 177.316 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 m0 . . . . . 0 N--CA 1.458 -0.06 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.0 p -89.87 4.56 49.52 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.016 2.126 . . . . 0.0 111.863 171.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -94.9 -26.62 4.35 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 126.788 2.035 . . . . 0.0 108.696 173.029 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 m -69.3 -24.52 63.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.277 1.831 . . . . 0.0 114.833 165.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -89.96 -37.53 14.29 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.199 1.8 . . . . 0.0 112.306 -178.219 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.01 -23.16 36.13 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.641 1.976 . . . . 0.0 113.376 -174.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.98 -63.69 1.24 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.11 2.164 . . . . 0.0 109.714 175.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -101.84 -115.1 0.19 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.687 1.595 . . . . 0.0 108.192 -178.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 p30 179.86 60.95 0.01 OUTLIER 'General case' 0 C--N 1.353 0.753 0 C-N-CA 125.571 1.548 . . . . 0.0 107.297 -177.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -145.02 -179.06 6.37 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 179.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 p -138.96 -13.63 1.21 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.433 0.693 . . . . 0.0 110.393 -172.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.03 123.79 38.71 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 176.437 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.78 158.66 22.29 Favored Glycine 0 CA--C 1.489 -1.57 0 N-CA-C 103.957 -3.657 . . . . 0.0 103.957 -166.396 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -144.96 -154.42 0.54 Allowed 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.08 177.7 11.03 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 174.253 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.0 ttm -107.63 -132.02 0.31 Allowed 'General case' 0 C--N 1.361 1.082 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -35.68 21.69 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.337 1.455 . . . . 0.0 113.2 176.559 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.62 1.15 1.7 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.548 -1.215 . . . . 0.0 112.838 -170.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 pttt . . . . . 0 C--N 1.368 1.374 0 CA-C-N 121.897 2.135 . . . . 0.0 109.444 -173.09 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 . . . . . 0 CA--C 1.503 -0.851 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 t -145.03 143.72 30.63 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 -176.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -135.86 83.55 2.02 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -161.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.261 1.685 0 C-N-CA 125.744 1.618 . . . . 0.0 107.856 165.344 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -148.29 49.99 1.03 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 178.145 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.454 HG13 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -94.35 -176.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 125.582 1.553 . . . . 0.0 107.149 170.633 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.454 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.9 p -108.08 134.68 50.61 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.894 1.278 . . . . 0.0 107.86 172.794 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -104.15 170.84 7.67 Favored 'General case' 0 C--N 1.363 1.185 0 CA-C-O 121.421 0.629 . . . . 0.0 110.695 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 p -128.66 -51.38 1.25 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 167.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.7 p -126.05 156.86 39.28 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.932 1.693 . . . . 0.0 107.666 -176.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.523 ' HG ' ' H ' ' A' ' 28' ' ' CYS . 46.2 m -90.0 79.88 6.48 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.108 2.163 . . . . 0.0 108.123 165.342 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -173.93 -42.49 0.01 OUTLIER 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.726 -2.324 . . . . 0.0 104.726 -167.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 . . . . . 0 C--N 1.367 1.354 0 C-N-CA 131.037 3.735 . . . . 0.0 116.135 177.711 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 p -90.02 -4.22 57.53 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.929 1.691 . . . . 0.0 111.339 175.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 t -96.64 -28.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 C-N-CA 125.701 1.6 . . . . 0.0 109.913 178.715 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -85.91 -16.25 39.1 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.208 1.003 . . . . 0.0 112.938 176.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -90.05 -32.98 16.5 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 125.67 1.588 . . . . 0.0 111.66 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.23 42.73 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.856 1.662 . . . . 0.0 113.276 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -90.14 -50.33 6.06 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 126.535 1.934 . . . . 0.0 110.588 178.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -118.97 -116.31 0.32 Allowed 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 -177.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -175.84 59.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -176.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -145.07 175.32 10.33 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 p -144.89 32.62 1.13 Allowed 'General case' 0 C--N 1.352 0.676 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -174.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.27 112.42 18.6 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 101.78 -3.415 . . . . 0.0 101.78 175.022 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.15 134.76 2.38 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 106.838 -2.505 . . . . 0.0 106.838 -170.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -145.09 161.57 39.12 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 102.745 -3.057 . . . . 0.0 102.745 -175.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.523 ' H ' ' HG ' ' A' ' 10' ' ' SER . 0.2 OUTLIER -118.78 173.14 7.05 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -174.641 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.3 ttt -106.73 -131.62 0.3 Allowed 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -85.06 -36.52 21.15 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.002 1.721 . . . . 0.0 113.486 175.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -135.43 -12.81 2.07 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.396 -1.288 . . . . 0.0 113.416 -168.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 CA--C 1.489 -1.378 0 CA-C-N 121.489 1.95 . . . . 0.0 108.943 -168.185 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.85 155.84 43.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 -178.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -145.08 65.55 1.26 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -166.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.261 1.705 0 C-N-CA 124.978 1.311 . . . . 0.0 110.699 178.05 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.51 52.3 0.59 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.068 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.527 HG11 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.75 -168.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.312 1.845 . . . . 0.0 107.243 176.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.527 ' H ' HG11 ' A' ' 5' ' ' VAL . 8.1 p -113.49 133.65 55.11 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.54 1.536 . . . . 0.0 108.761 173.679 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -141.67 150.52 42.01 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.61 -48.44 1.16 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.765 2.026 . . . . 0.0 107.421 173.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -107.31 136.71 46.66 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.276 1.83 . . . . 0.0 109.709 -175.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 p -89.9 72.38 7.51 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.893 2.077 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -173.79 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.046 2.138 . . . . 0.0 106.899 -173.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.372 1.568 0 C-N-CA 129.865 3.266 . . . . 0.0 116.088 177.724 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.1 m0 . . . . . 0 C--O 1.23 0.063 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.8 p -90.1 -0.13 57.44 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 127.214 2.206 . . . . 0.0 111.768 170.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.95 -32.76 4.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.253 0 C-N-CA 127.28 2.232 . . . . 0.0 109.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -82.07 -13.06 57.86 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 125.967 1.707 . . . . 0.0 112.953 171.022 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -89.87 -33.26 16.53 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.265 2.226 . . . . 0.0 111.706 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -24.42 24.87 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.719 2.008 . . . . 0.0 112.998 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.4 tp -90.05 -47.21 7.98 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.074 1.349 . . . . 0.0 110.728 177.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -115.94 -119.08 0.31 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -176.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.88 58.15 0.03 OUTLIER 'General case' 0 C--N 1.35 0.61 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -144.93 -172.94 3.95 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 p -135.98 -26.42 1.18 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 124.16 0.984 . . . . 0.0 108.734 178.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 123.56 38.4 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -173.848 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.83 107.52 0.21 Allowed Glycine 0 CA--C 1.489 -1.569 0 N-CA-C 105.341 -3.104 . . . . 0.0 105.341 -163.135 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.13 -140.53 0.38 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.616 2.366 . . . . 0.0 106.636 -166.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 p -155.13 175.32 13.99 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 121.429 0.633 . . . . 0.0 110.208 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.55 -122.52 0.13 Allowed 'General case' 0 C--N 1.366 1.323 0 C-N-CA 127.044 2.138 . . . . 0.0 107.682 173.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -85.14 -41.21 15.9 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.705 1.602 . . . . 0.0 113.57 179.027 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HZ2' ' HB3' ' A' ' 31' ' ' LYS . 9.6 mtpm? -139.58 -9.64 1.23 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -166.008 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 pttm . . . . . 0 CA--C 1.491 -1.317 0 CA-C-N 121.728 2.058 . . . . 0.0 109.109 -171.072 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 . . . . . 0 CA--C 1.505 -0.781 0 N-CA-C 105.11 -2.181 . . . . 0.0 105.11 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.7 138.74 27.48 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 -178.423 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -140.42 68.77 1.35 Allowed 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -161.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--O 1.262 1.75 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 174.542 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -149.16 54.02 0.97 Allowed 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.497 HG13 ' H ' ' A' ' 6' ' ' SER . 1.2 t -99.06 -172.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.371 0 C-N-CA 126.125 1.77 . . . . 0.0 106.69 174.515 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.497 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.0 p -110.87 131.84 54.71 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.173 1.389 . . . . 0.0 108.361 173.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -141.37 149.2 40.81 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 122.075 0.941 . . . . 0.0 108.787 -179.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 p -131.48 -47.23 0.98 Allowed 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.465 1.906 . . . . 0.0 107.639 173.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -104.32 130.56 52.15 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 126.706 2.002 . . . . 0.0 109.167 -177.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.4 p -88.0 75.85 8.69 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.729 2.012 . . . . 0.0 110.409 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -173.06 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.025 2.13 . . . . 0.0 105.521 -178.347 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.373 1.6 0 C-N-CA 129.731 3.212 . . . . 0.0 116.803 178.37 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 m0 . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 p -89.9 6.35 42.35 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.357 2.263 . . . . 0.0 111.407 171.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.66 -40.88 11.39 Favored 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 127.492 2.317 . . . . 0.0 107.732 173.14 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 m -59.6 -26.78 65.73 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.553 2.341 . . . . 0.0 116.047 169.584 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -89.71 -34.43 16.23 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.854 1.662 . . . . 0.0 112.961 177.61 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -29.46 53.04 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.459 2.303 . . . . 0.0 113.833 -177.531 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.94 -63.07 1.33 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.719 2.408 . . . . 0.0 109.151 178.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -104.05 -114.36 0.23 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.467 1.507 . . . . 0.0 108.359 -178.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 179.56 60.3 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.263 1.425 . . . . 0.0 108.285 -176.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.432 ' HG1' ' H ' ' A' ' 24' ' ' SER . 4.7 t -144.94 177.88 8.43 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 177.654 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.432 ' H ' ' HG1' ' A' ' 23' ' ' THR . 68.2 m -141.72 17.29 2.16 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -173.445 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -106.71 119.95 40.69 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 171.043 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.06 134.6 3.38 Favored Glycine 0 CA--C 1.489 -1.563 0 N-CA-C 105.693 -2.963 . . . . 0.0 105.693 -170.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -145.07 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 102.517 -3.142 . . . . 0.0 102.517 174.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -124.89 172.57 9.26 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 108.151 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -122.72 0.14 Allowed 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.65 1.58 . . . . 0.0 108.22 -176.237 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -85.34 -39.22 17.9 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.815 1.646 . . . . 0.0 113.366 179.127 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -139.12 -15.91 1.1 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.363 -1.303 . . . . 0.0 114.047 -162.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 CA--C 1.492 -1.277 0 CA-C-N 121.561 1.982 . . . . 0.0 109.474 -166.107 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -139.09 155.4 47.94 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 103.159 -2.904 . . . . 0.0 103.159 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -142.98 67.84 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -160.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.26 1.607 0 C-N-CA 124.946 1.299 . . . . 0.0 111.455 178.216 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.082 0 CA-C-O 121.515 0.674 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -127.65 161.01 29.88 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.081 1.752 . . . . 0.0 106.435 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.612 ' HG1' ' HG3' ' A' ' 33' ' ' ABA . 2.8 p -111.38 157.11 20.61 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.076 2.15 . . . . 0.0 106.456 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -141.02 53.9 1.57 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.542 HG13 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.8 -170.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.14 2.176 . . . . 0.0 106.581 174.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.542 ' H ' HG13 ' A' ' 5' ' ' VAL . 6.9 p -114.46 131.69 56.52 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.498 1.519 . . . . 0.0 108.343 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -139.75 150.34 44.67 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 121.989 0.899 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -127.25 -49.79 1.43 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.958 2.103 . . . . 0.0 108.021 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.515 ' HG1' ' HB2' ' A' ' 12' ' ' GLU . 12.7 p -108.46 133.76 52.17 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.124 1.77 . . . . 0.0 109.033 -176.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 p -87.48 74.21 9.37 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.171 1.788 . . . . 0.0 111.231 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -172.54 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.207 2.203 . . . . 0.0 105.99 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.515 ' HB2' ' HG1' ' A' ' 9' ' ' THR . 43.9 tt0 -50.17 -45.86 53.77 Favored 'General case' 0 C--N 1.372 1.573 0 C-N-CA 131.096 3.758 . . . . 0.0 117.999 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -89.49 -17.77 28.0 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 127.199 2.2 . . . . 0.0 112.693 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 p -90.21 -0.2 57.5 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 127.384 2.274 . . . . 0.0 110.751 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.04 -37.08 7.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.394 0 C-N-CA 126.857 2.063 . . . . 0.0 108.387 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.13 -21.76 64.91 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 127.605 2.362 . . . . 0.0 114.57 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -50.08 6.9 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.769 2.428 . . . . 0.0 111.949 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.17 -24.74 60.6 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.549 2.74 . . . . 0.0 115.241 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -54.47 4.04 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.255 2.222 . . . . 0.0 110.47 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.06 -112.18 0.27 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.824 1.65 . . . . 0.0 107.041 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -179.88 60.52 0.01 OUTLIER 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.491 1.516 . . . . 0.0 107.189 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -144.87 179.67 7.18 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -144.98 20.07 1.61 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -176.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.04 121.44 44.98 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.55 139.48 5.39 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 104.923 -3.271 . . . . 0.0 104.923 -170.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -145.02 159.43 42.96 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 101.406 -3.553 . . . . 0.0 101.406 173.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.7 p -122.76 170.68 9.82 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 ttt -99.03 -122.1 0.14 Allowed 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.458 1.503 . . . . 0.0 108.819 -168.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -86.13 -41.55 14.63 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.978 1.711 . . . . 0.0 112.695 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -144.72 -1.06 0.9 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 117.308 -1.329 . . . . 0.0 113.283 -168.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -144.46 154.07 42.55 Favored 'General case' 0 CA--C 1.49 -1.352 0 CA-C-N 122.313 2.324 . . . . 0.0 109.891 -169.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.612 ' HG3' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -136.82 173.12 12.05 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.49 149.14 35.46 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.13 -2.545 . . . . 0.0 104.13 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -143.99 62.84 1.35 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 -162.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.26 1.618 0 C-N-CA 124.492 1.117 . . . . 0.0 108.47 177.26 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.877 0 CA-C-O 120.849 0.357 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -130.15 162.39 28.97 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.612 1.965 . . . . 0.0 106.002 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.563 ' HG1' ' HG2' ' A' ' 33' ' ' ABA . 7.5 p -98.92 144.92 27.56 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 127.359 2.264 . . . . 0.0 107.853 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -128.07 49.88 2.12 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.63 158.18 3.76 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 129.032 2.933 . . . . 0.0 104.314 172.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -95.2 135.29 36.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.9 1.28 . . . . 0.0 109.713 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -134.75 147.72 50.08 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 122.299 1.047 . . . . 0.0 109.096 -172.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -128.32 -46.03 1.35 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.311 2.245 . . . . 0.0 107.871 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.405 ' HG1' ' HB2' ' A' ' 12' ' ' GLU . 16.7 p -107.89 139.65 42.18 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 125.586 1.554 . . . . 0.0 110.591 -171.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 p -89.91 85.21 6.3 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.031 1.733 . . . . 0.0 108.734 170.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -177.36 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.353 0.756 0 N-CA-C 103.53 -2.767 . . . . 0.0 103.53 -169.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HB2' ' HG1' ' A' ' 9' ' ' THR . 7.7 tt0 -62.03 -34.88 77.03 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 131.264 3.826 . . . . 0.0 117.104 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -82.24 -28.16 32.05 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.368 2.667 . . . . 0.0 112.619 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 p -89.79 -8.47 52.05 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.476 1.911 . . . . 0.0 111.31 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 t -98.64 -25.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 125.346 1.458 . . . . 0.0 109.655 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 m -84.19 -19.84 33.37 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 124.56 1.144 . . . . 0.0 112.432 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -89.92 -35.21 15.72 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.052 2.141 . . . . 0.0 112.677 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -85.8 -20.19 29.57 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.525 1.93 . . . . 0.0 113.291 -177.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.9 -63.16 1.32 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.224 2.21 . . . . 0.0 109.261 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -101.83 -114.09 0.2 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 125.736 1.615 . . . . 0.0 107.808 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.7 59.38 0.01 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -145.07 174.45 11.04 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.1 p -145.14 36.18 1.11 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.01 117.51 10.84 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 173.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.83 129.47 1.07 Allowed Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 106.556 -2.617 . . . . 0.0 106.556 -172.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -125.83 -145.61 0.33 Allowed 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -154.53 174.23 15.21 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.21 -121.92 0.13 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.72 2.008 . . . . 0.0 108.141 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -85.37 -42.15 14.82 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.31 1.444 . . . . 0.0 112.95 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 5.5 mmmp? -144.82 -2.36 0.83 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.48 -1.248 . . . . 0.0 114.024 -166.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -144.9 150.73 37.54 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 121.912 2.142 . . . . 0.0 108.776 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.563 ' HG2' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -138.3 174.14 10.86 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.91 138.2 26.76 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -136.3 69.91 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 -161.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.26 1.617 0 C-N-CA 125.182 1.393 . . . . 0.0 109.978 179.798 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.165 0 CA-C-O 121.612 0.72 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -144.01 133.62 23.58 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -122.29 163.44 19.67 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -144.82 54.7 1.24 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.499 HG13 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.21 -171.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 126.729 2.011 . . . . 0.0 106.546 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.499 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.8 p -109.97 132.67 53.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.156 1.383 . . . . 0.0 108.17 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -135.36 149.99 49.83 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 122.262 1.03 . . . . 0.0 109.726 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -127.64 -47.39 1.41 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.373 2.269 . . . . 0.0 107.601 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 p -109.3 132.35 54.2 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.813 2.045 . . . . 0.0 110.06 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -89.89 80.33 6.48 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 126.28 1.832 . . . . 0.0 109.885 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -175.61 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.032 2.533 . . . . 0.0 104.71 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.47 -24.38 67.8 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.929 3.291 . . . . 0.0 115.361 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -84.69 -23.43 29.4 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.861 2.064 . . . . 0.0 111.771 -175.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.96 -6.0 56.13 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.458 2.303 . . . . 0.0 111.389 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.9 t -97.79 -34.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 125.942 1.697 . . . . 0.0 109.621 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 m -73.46 -18.78 61.09 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 126.576 1.95 . . . . 0.0 114.436 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -47.76 7.94 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.318 2.247 . . . . 0.0 111.054 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.82 3.248 . . . . 0.0 115.922 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.34 -66.25 0.94 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 126.309 1.844 . . . . 0.0 110.254 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -103.05 -110.6 0.24 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.085 1.754 . . . . 0.0 108.127 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -178.85 63.92 0.01 OUTLIER 'General case' 0 C--N 1.353 0.724 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -145.02 -175.56 4.74 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -128.35 -20.28 3.72 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.308 1.443 . . . . 0.0 107.77 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -94.97 122.81 38.01 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 -167.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.89 1.99 Allowed Glycine 0 CA--C 1.488 -1.648 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 -166.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -145.01 158.13 43.91 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 -174.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 p -118.35 169.74 9.49 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 124.295 1.038 . . . . 0.0 108.91 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -100.07 -119.68 0.15 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 125.468 1.507 . . . . 0.0 108.168 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -85.0 -39.51 17.97 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.713 1.205 . . . . 0.0 114.189 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' HZ2' ' HB3' ' A' ' 31' ' ' LYS . 10.0 mtpm? -138.34 -19.42 1.1 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -162.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -141.25 152.39 44.5 Favored 'General case' 0 CA--C 1.491 -1.304 0 CA-C-N 121.479 1.945 . . . . 0.0 108.854 -167.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -135.52 174.05 11.04 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.89 150.47 37.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -144.37 75.11 1.45 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.26 1.642 0 C-N-CA 124.887 1.275 . . . . 0.0 108.975 176.786 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.151 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -125.12 164.34 20.44 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.137 1.775 . . . . 0.0 106.992 -172.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.6 ' HG1' ' HG3' ' A' ' 33' ' ' ABA . 5.5 p -125.82 168.76 13.38 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 176.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -150.4 55.43 0.92 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.545 HG13 ' H ' ' A' ' 6' ' ' SER . 1.7 t -102.85 -167.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.23 0 C-N-CA 126.251 1.82 . . . . 0.0 106.278 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.545 ' H ' HG13 ' A' ' 5' ' ' VAL . 9.2 p -114.03 134.76 54.64 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.326 1.451 . . . . 0.0 108.593 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.66 150.74 42.31 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-O 121.822 0.82 . . . . 0.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.94 -48.34 1.13 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.544 1.938 . . . . 0.0 107.637 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.413 ' HG1' ' HB2' ' A' ' 12' ' ' GLU . 16.7 p -107.83 133.9 51.54 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.366 1.866 . . . . 0.0 109.332 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -89.38 72.04 8.06 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.505 1.922 . . . . 0.0 110.712 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -168.21 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.355 0.825 0 C-N-CA 127.789 2.436 . . . . 0.0 106.838 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HB2' ' HG1' ' A' ' 9' ' ' THR . 2.3 tm-20 -62.92 -41.65 99.53 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 129.245 3.018 . . . . 0.0 115.948 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -90.06 -19.2 24.64 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.049 2.139 . . . . 0.0 112.841 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 p -90.05 -0.56 57.65 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.091 2.156 . . . . 0.0 111.129 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -95.12 -33.24 4.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 127.577 2.351 . . . . 0.0 109.176 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 m -80.86 -14.67 57.81 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.896 1.678 . . . . 0.0 113.132 170.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -87.88 -55.08 3.92 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 127.027 2.131 . . . . 0.0 112.005 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -79.13 -14.06 59.35 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 126.702 2.001 . . . . 0.0 114.587 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.3 tp -89.97 -48.35 7.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.096 1.758 . . . . 0.0 110.606 174.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.78 -115.16 0.33 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -173.98 58.32 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -145.06 -178.96 6.31 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -129.28 -15.36 4.14 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.297 1.439 . . . . 0.0 107.641 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.99 123.31 38.39 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 125.938 1.695 . . . . 0.0 107.429 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.15 146.86 5.63 Favored Glycine 0 CA--C 1.486 -1.738 0 N-CA-C 104.588 -3.405 . . . . 0.0 104.588 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -135.79 -151.34 0.41 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -155.05 175.24 14.08 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 168.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.94 -123.27 0.15 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.303 1.841 . . . . 0.0 107.175 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -84.86 -41.29 16.17 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.753 1.621 . . . . 0.0 113.579 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -144.97 -1.56 0.85 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.506 -1.235 . . . . 0.0 113.636 -164.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -144.98 152.69 40.57 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 121.58 1.991 . . . . 0.0 109.306 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.6 ' HG3' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -135.85 170.41 16.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.99 139.43 27.48 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -142.41 68.13 1.32 Allowed 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 -163.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.259 1.571 0 C-N-CA 124.858 1.263 . . . . 0.0 108.219 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.335 0 CA-C-O 120.96 0.41 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -118.58 163.77 16.3 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 126.766 2.026 . . . . 0.0 105.851 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.58 173.26 6.4 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.445 1.098 . . . . 0.0 108.679 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.17 45.48 2.61 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.415 1.486 . . . . 0.0 107.369 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.9 t -102.91 157.33 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 C-N-CA 128.681 2.793 . . . . 0.0 104.278 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -94.87 139.37 31.4 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 125.063 1.345 . . . . 0.0 110.889 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 t -144.62 148.48 34.37 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 122.078 0.942 . . . . 0.0 108.47 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -128.59 -45.12 1.34 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.173 2.189 . . . . 0.0 107.995 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 p -111.29 139.51 46.62 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 125.923 1.689 . . . . 0.0 109.675 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 t -89.93 80.79 6.37 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.749 2.02 . . . . 0.0 109.18 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -177.25 -39.25 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.584 2.354 . . . . 0.0 104.85 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -53.37 -46.1 69.47 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 131.105 3.762 . . . . 0.0 117.739 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -89.93 -17.63 27.6 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 126.432 1.893 . . . . 0.0 112.199 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 p -90.12 0.66 57.04 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.273 2.229 . . . . 0.0 111.826 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -95.05 -28.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 126.354 1.862 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.9 m -85.67 -9.1 57.72 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 124.85 1.26 . . . . 0.0 112.54 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -89.83 -34.93 15.95 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.476 2.31 . . . . 0.0 111.403 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -84.99 -26.79 26.89 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 127.31 2.244 . . . . 0.0 112.818 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.9 tp -89.91 -45.47 9.21 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.646 1.578 . . . . 0.0 110.614 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -116.6 -118.12 0.32 Allowed 'General case' 0 C--N 1.363 1.153 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -173.86 59.34 0.02 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.88 -170.71 3.47 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 105.823 -1.918 . . . . 0.0 105.823 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -132.84 -32.13 1.27 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 124.935 1.294 . . . . 0.0 108.471 -172.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 124.27 38.83 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.702 1.601 . . . . 0.0 107.701 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.49 104.63 0.18 Allowed Glycine 0 CA--C 1.49 -1.482 0 N-CA-C 105.811 -2.916 . . . . 0.0 105.811 -166.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -108.72 -147.83 0.42 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.06 2.944 . . . . 0.0 106.48 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -154.94 175.15 14.16 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.816 0.817 . . . . 0.0 110.173 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 -124.74 0.11 Allowed 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.824 2.45 . . . . 0.0 106.746 171.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -86.69 -38.14 17.28 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.368 1.467 . . . . 0.0 114.011 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HZ3' ' HB3' ' A' ' 31' ' ' LYS . 5.3 mmmp? -142.19 -7.28 0.92 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.021 -1.466 . . . . 0.0 114.338 -162.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -142.3 151.79 42.34 Favored 'General case' 0 CA--C 1.491 -1.316 0 CA-C-N 122.38 2.355 . . . . 0.0 109.423 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -122.28 -171.42 2.26 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.95 141.94 29.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -144.41 64.94 1.29 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -162.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.615 0 C-N-CA 125.075 1.35 . . . . 0.0 108.226 -177.842 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.256 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -99.21 162.85 12.82 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 126.3 1.84 . . . . 0.0 109.568 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p -104.97 -177.91 3.5 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.865 1.666 . . . . 0.0 107.721 175.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.94 49.29 0.99 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -93.87 -176.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 126.207 1.803 . . . . 0.0 106.911 170.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' HG13 ' A' ' 5' ' ' VAL . 5.7 p -110.19 134.93 51.72 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -102.86 172.04 7.05 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.75 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.7 p -126.45 -56.11 1.42 Allowed 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 165.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 p -128.23 159.74 34.28 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 124.715 1.206 . . . . 0.0 108.964 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 t -90.07 83.38 6.07 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.714 2.806 . . . . 0.0 107.61 166.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttp 179.75 -45.94 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.981 -2.599 . . . . 0.0 103.981 -174.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -70.88 -38.84 73.09 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.369 3.067 . . . . 0.0 115.542 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -89.72 -25.4 21.2 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.985 2.514 . . . . 0.0 112.893 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.9 p -90.04 3.78 52.2 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 127.06 2.144 . . . . 0.0 111.223 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.05 -30.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.481 2.312 . . . . 0.0 108.8 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.9 m -71.02 -19.85 62.46 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 125.74 1.616 . . . . 0.0 115.158 166.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -87.38 -40.67 14.21 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.781 2.032 . . . . 0.0 112.026 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -80.41 -20.22 44.45 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.232 2.213 . . . . 0.0 113.583 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.99 -65.47 1.01 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.568 2.347 . . . . 0.0 109.28 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -100.31 -113.7 0.18 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.806 1.642 . . . . 0.0 108.364 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -175.86 56.8 0.01 OUTLIER 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 t -145.01 -172.89 3.94 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 p -131.62 -33.0 1.45 Allowed 'General case' 0 C--N 1.359 1.001 0 C-N-CA 125.391 1.476 . . . . 0.0 107.984 -173.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.473 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -94.88 123.55 38.41 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 125.433 1.493 . . . . 0.0 107.764 -169.555 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.64 130.62 1.14 Allowed Glycine 0 CA--C 1.484 -1.892 0 N-CA-C 105.953 -2.859 . . . . 0.0 105.953 -164.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -126.29 -141.6 0.28 Allowed 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 -166.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.1 -179.85 8.46 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.3 ttt -98.83 -125.85 0.16 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.948 1.699 . . . . 0.0 107.181 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -85.45 -39.62 17.32 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.977 1.711 . . . . 0.0 113.219 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -137.53 -10.87 1.62 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.393 -1.289 . . . . 0.0 114.202 -165.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.04 148.18 33.42 Favored 'General case' 0 CA--C 1.487 -1.464 0 CA-C-N 121.607 2.003 . . . . 0.0 108.299 -170.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -135.16 -178.73 5.23 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.18 154.87 42.88 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 176.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -142.6 61.2 1.43 Allowed 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.258 1.55 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 173.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.271 0 CA-C-O 121.101 0.476 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -122.51 -8.1 8.59 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 126.073 1.749 . . . . 0.0 109.017 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.547 ' HG1' ' HG1' ' A' ' 33' ' ' ABA . 1.0 OUTLIER -140.93 161.62 37.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 -179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -145.56 54.24 1.18 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.554 HG13 ' H ' ' A' ' 6' ' ' SER . 1.9 t -103.64 -169.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.234 0 C-N-CA 127.135 2.174 . . . . 0.0 105.667 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.554 ' H ' HG13 ' A' ' 5' ' ' VAL . 6.3 p -114.08 129.53 56.61 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.33 1.452 . . . . 0.0 107.96 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -137.55 151.8 48.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.16 0.981 . . . . 0.0 109.848 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 p -125.8 -44.57 1.79 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 127.393 2.277 . . . . 0.0 108.794 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.2 p -112.57 138.76 48.88 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.166 1.786 . . . . 0.0 111.117 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -86.79 84.45 7.36 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.759 2.024 . . . . 0.0 108.705 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -178.7 -39.18 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 127.815 2.446 . . . . 0.0 104.535 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.96 -31.62 72.31 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 129.171 2.988 . . . . 0.0 115.784 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -87.35 -25.9 23.63 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.204 1.802 . . . . 0.0 112.202 -170.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 p -90.08 -7.83 52.86 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.389 2.276 . . . . 0.0 111.789 170.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.97 -29.02 4.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.391 0 C-N-CA 126.626 1.971 . . . . 0.0 109.498 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -78.51 -22.87 46.74 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 125.954 1.702 . . . . 0.0 112.518 170.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -89.19 -32.43 17.46 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.172 2.189 . . . . 0.0 111.599 -174.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.73 -25.91 32.45 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.204 1.802 . . . . 0.0 112.815 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -90.05 -50.73 5.85 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.903 2.081 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -118.22 -116.19 0.32 Allowed 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -172.07 59.17 0.03 OUTLIER 'General case' 0 C--N 1.354 0.777 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.95 160.13 41.82 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 -175.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 p -119.5 -18.0 8.58 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.695 1.998 . . . . 0.0 107.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 108.97 21.09 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.329 1.852 . . . . 0.0 106.8 -169.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.7 126.54 0.91 Allowed Glycine 0 CA--C 1.486 -1.757 0 N-CA-C 106.611 -2.596 . . . . 0.0 106.611 -166.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -127.06 -149.48 0.41 Allowed 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -169.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.02 172.96 17.25 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 32.6 ttm -99.38 -121.23 0.15 Allowed 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.224 1.81 . . . . 0.0 108.112 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -85.03 -43.2 14.15 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.616 1.567 . . . . 0.0 112.838 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -140.93 -6.55 1.1 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.562 -1.208 . . . . 0.0 113.972 -165.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -144.65 152.03 39.86 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-N 121.566 1.985 . . . . 0.0 108.842 -169.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.547 ' HG1' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -128.23 168.85 14.88 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.659 1.584 . . . . 0.0 106.799 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -135.19 152.49 51.62 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 169.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -139.39 56.77 1.66 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -160.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.262 1.711 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 165.403 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.17 0 CA-C-O 121.256 0.551 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -148.11 135.6 20.63 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.74 170.92 7.85 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -141.87 45.31 1.69 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.2 t -94.99 163.49 2.26 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 C-N-CA 128.769 2.828 . . . . 0.0 105.135 170.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 p -95.57 139.86 31.22 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.144 1.378 . . . . 0.0 110.086 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -136.18 151.35 49.63 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 122.034 0.921 . . . . 0.0 109.046 -174.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -123.34 -54.06 1.79 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.125 2.17 . . . . 0.0 108.277 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -111.44 144.2 41.04 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.259 1.824 . . . . 0.0 109.581 -171.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 p -89.88 77.19 7.01 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 125.825 1.65 . . . . 0.0 110.177 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -173.19 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.832 0 C-N-CA 129.668 3.187 . . . . 0.0 105.305 -174.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.9 -26.74 68.45 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 129.391 3.076 . . . . 0.0 116.333 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 -82.26 -30.56 30.61 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 128.735 2.814 . . . . 0.0 111.755 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 p -90.03 2.61 54.99 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.179 1.792 . . . . 0.0 111.738 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -103.9 -31.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 125.631 1.572 . . . . 0.0 109.814 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.5 m -87.5 -18.52 29.65 Favored 'General case' 0 C--N 1.374 1.655 0 CA-C-N 119.79 1.177 . . . . 0.0 113.428 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -89.17 -28.98 19.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.44 1.496 . . . . 0.0 111.438 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.53 -29.02 33.69 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 127.009 2.124 . . . . 0.0 112.921 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.1 -48.26 7.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.761 1.625 . . . . 0.0 110.959 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -122.38 -116.59 0.3 Allowed 'General case' 0 C--N 1.361 1.1 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -173.09 57.77 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -145.23 173.56 11.84 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 p -132.3 0.79 3.76 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 124.895 1.278 . . . . 0.0 108.7 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 108.77 21.21 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.38 127.11 1.03 Allowed Glycine 0 CA--C 1.489 -1.591 0 N-CA-C 107.701 -2.16 . . . . 0.0 107.701 -170.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -144.97 157.35 44.16 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 102.572 -3.121 . . . . 0.0 102.572 -172.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.48 171.85 7.2 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.148 1.379 . . . . 0.0 110.556 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 ttt -96.7 -123.17 0.12 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.698 1.999 . . . . 0.0 108.65 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -84.91 -38.22 19.64 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 126.196 1.799 . . . . 0.0 113.792 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -133.02 -24.7 1.87 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -163.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -144.06 148.08 34.69 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-N 120.644 1.565 . . . . 0.0 108.892 -163.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -131.35 176.58 8.17 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 -175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.57 151.79 39.58 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.17 -2.53 . . . . 0.0 104.17 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -141.21 64.42 1.42 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 -161.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--O 1.256 1.432 0 C-N-CA 124.954 1.302 . . . . 0.0 107.999 175.53 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.361 0 CA-C-O 121.321 0.582 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -120.38 147.26 45.28 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.493 1.517 . . . . 0.0 107.852 -171.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.411 ' HG1' ' HG2' ' A' ' 33' ' ' ABA . 10.5 p -112.06 153.52 26.77 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.147 2.179 . . . . 0.0 106.54 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -129.53 49.15 2.29 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.678 1.591 . . . . 0.0 106.719 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.46 155.91 4.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 C-N-CA 128.765 2.826 . . . . 0.0 104.152 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -95.13 136.06 35.93 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.058 1.343 . . . . 0.0 110.782 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.5 t -141.97 149.16 39.72 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 122.077 0.941 . . . . 0.0 108.617 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 p -132.08 -47.86 0.93 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.653 1.981 . . . . 0.0 106.84 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 p -99.93 127.73 46.09 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.863 2.065 . . . . 0.0 109.441 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.7 p -88.7 72.72 8.63 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 127.221 2.209 . . . . 0.0 111.369 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 1.7 mtpm? -177.64 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.444 2.298 . . . . 0.0 106.674 -175.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.61 -40.8 96.13 Favored 'General case' 0 C--N 1.371 1.511 0 C-N-CA 129.001 2.92 . . . . 0.0 115.867 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -89.69 -15.86 31.66 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.378 2.271 . . . . 0.0 112.284 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 p -90.05 -0.88 57.83 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.607 2.363 . . . . 0.0 111.09 171.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.07 -41.67 12.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 126.377 1.871 . . . . 0.0 108.564 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.36 -8.79 57.44 Favored 'General case' 0 C--N 1.367 1.353 0 C-N-CA 125.916 1.686 . . . . 0.0 114.878 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.98 -52.6 4.88 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 127.098 2.159 . . . . 0.0 111.067 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -77.41 -16.24 58.93 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.458 2.703 . . . . 0.0 114.829 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.88 -63.51 1.27 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.784 2.034 . . . . 0.0 108.988 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -99.66 -112.32 0.18 Allowed 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.778 1.631 . . . . 0.0 108.873 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 p30 178.3 63.73 0.01 OUTLIER 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.297 1.439 . . . . 0.0 107.33 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -145.01 -175.93 4.89 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 p -128.0 -30.43 2.46 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.511 1.125 . . . . 0.0 108.503 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.82 121.63 36.61 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.114 1.765 . . . . 0.0 107.063 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.55 103.07 0.16 Allowed Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 105.753 -2.939 . . . . 0.0 105.753 -167.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -109.86 -139.46 0.38 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.776 2.43 . . . . 0.0 106.689 -167.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 p -155.01 174.45 15.16 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-O 121.728 0.775 . . . . 0.0 109.892 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ttt -99.32 -121.56 0.15 Allowed 'General case' 0 C--N 1.363 1.192 0 C-N-CA 127.211 2.204 . . . . 0.0 107.973 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -84.81 -42.22 15.34 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.227 1.811 . . . . 0.0 113.204 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.6 -10.79 1.38 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.736 -1.126 . . . . 0.0 113.866 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -144.97 152.2 39.8 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 121.511 1.96 . . . . 0.0 109.395 -170.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.411 ' HG2' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.428 HH21 ' HH ' ' A' ' 36' ' ' TYR . 5.9 ttp180 -139.92 -171.34 3.15 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 175.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.93 145.17 31.44 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 -169.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HH ' HH21 ' A' ' 34' ' ' ARG . 19.4 m-85 -143.87 59.66 1.37 Allowed 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -162.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.259 1.561 0 C-N-CA 125.177 1.391 . . . . 0.0 108.298 -178.809 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.231 0 CA-C-O 120.823 0.344 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -124.13 119.89 30.77 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.511 1.525 . . . . 0.0 107.248 -172.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.486 ' HG1' ' HG3' ' A' ' 33' ' ' ABA . 2.1 p -127.02 149.14 50.04 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.673 1.989 . . . . 0.0 105.92 -176.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -131.62 51.36 2.15 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.528 1.531 . . . . 0.0 107.165 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -102.56 157.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 C-N-CA 128.54 2.736 . . . . 0.0 104.637 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -94.96 134.41 37.66 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.856 1.262 . . . . 0.0 110.464 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -141.48 149.75 41.33 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 122.293 1.044 . . . . 0.0 108.878 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -130.81 -46.92 1.04 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.128 2.171 . . . . 0.0 107.474 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -104.3 133.02 49.9 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.498 1.919 . . . . 0.0 109.607 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -85.99 76.5 9.82 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.796 2.038 . . . . 0.0 110.711 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.18 -46.79 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -175.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -57.46 -42.84 83.32 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 130.061 3.344 . . . . 0.0 116.986 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -90.02 -23.24 21.53 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 126.306 1.842 . . . . 0.0 111.337 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -89.76 10.57 22.97 Favored 'General case' 0 C--N 1.371 1.531 0 C-N-CA 127.313 2.245 . . . . 0.0 111.484 172.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.13 -42.68 12.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.273 0 C-N-CA 127.333 2.253 . . . . 0.0 106.989 169.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.91 2.17 31.77 Favored 'General case' 0 C--N 1.366 1.291 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -89.79 -44.49 9.93 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 124.994 1.317 . . . . 0.0 110.989 170.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.38 -16.68 41.94 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.35 1.86 . . . . 0.0 113.628 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -90.07 -68.2 0.8 Allowed 'General case' 0 C--N 1.365 1.265 0 C-N-CA 127.6 2.36 . . . . 0.0 109.308 171.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -104.13 -114.65 0.23 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 125.907 1.683 . . . . 0.0 108.229 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -178.13 82.18 0.02 OUTLIER 'General case' 0 C--N 1.354 0.766 0 C-N-CA 126.056 1.742 . . . . 0.0 106.682 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -134.11 176.57 8.47 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 p -144.96 28.78 1.23 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 162.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.7 126.4 22.12 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.48 156.18 26.38 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 105.006 -3.238 . . . . 0.0 105.006 -172.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -145.01 174.73 10.78 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 p -137.68 173.19 11.91 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 ttt -101.73 -122.13 0.17 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.602 1.561 . . . . 0.0 109.0 -171.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -85.03 -37.9 19.82 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.725 1.61 . . . . 0.0 112.933 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -139.12 -16.46 1.08 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.781 -1.58 . . . . 0.0 114.069 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -144.86 153.73 41.91 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-N 122.325 2.33 . . . . 0.0 110.49 -164.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.486 ' HG3' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -124.07 177.84 5.6 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 170.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 t -144.06 135.25 25.55 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 -171.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -139.27 83.96 1.97 Allowed 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -163.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 C--O 1.259 1.566 0 C-N-CA 124.914 1.286 . . . . 0.0 110.946 -179.048 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -146.02 159.25 43.53 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.549 ' HG1' ' HG2' ' A' ' 33' ' ' ABA . 1.6 p -124.47 171.18 10.17 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.774 2.43 . . . . 0.0 105.856 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -148.13 57.25 1.08 Allowed 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.505 HG13 ' H ' ' A' ' 6' ' ' SER . 1.3 t -99.64 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.32 0 C-N-CA 126.451 1.9 . . . . 0.0 106.811 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.505 ' H ' HG13 ' A' ' 5' ' ' VAL . 11.3 p -109.13 133.13 53.41 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.458 1.503 . . . . 0.0 108.841 173.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -140.51 150.64 43.98 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.11 -47.89 1.01 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.141 1.776 . . . . 0.0 107.252 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -104.79 130.1 52.94 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.595 1.958 . . . . 0.0 108.736 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -88.83 77.67 7.75 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.397 1.879 . . . . 0.0 109.651 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -171.98 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.355 0.82 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -55.17 -48.85 73.19 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 131.337 3.855 . . . . 0.0 117.087 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -89.98 -19.44 24.47 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 127.365 2.266 . . . . 0.0 112.559 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -90.14 -2.07 58.03 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 127.526 2.33 . . . . 0.0 111.263 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.4 t -95.0 -30.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 C-N-CA 127.026 2.13 . . . . 0.0 108.936 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.6 m -74.05 -16.7 61.04 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.785 1.634 . . . . 0.0 114.496 168.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -87.18 -52.86 5.17 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.228 2.211 . . . . 0.0 111.858 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -81.24 -9.51 59.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 127.145 2.178 . . . . 0.0 114.972 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -90.01 -64.78 1.09 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 127.012 2.125 . . . . 0.0 109.072 170.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -99.45 -112.94 0.17 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.32 1.848 . . . . 0.0 108.252 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -176.47 59.04 0.01 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -144.99 178.97 7.66 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -145.11 19.0 1.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.62 124.11 44.45 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 103.719 -2.696 . . . . 0.0 103.719 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.43 122.12 0.67 Allowed Glycine 0 CA--C 1.481 -2.066 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -117.37 -143.25 0.37 Allowed 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.305 2.242 . . . . 0.0 105.35 -169.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -155.13 174.49 15.12 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 ttt -96.16 -125.48 0.13 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.138 2.175 . . . . 0.0 107.42 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -86.18 -38.29 17.83 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.46 1.504 . . . . 0.0 113.576 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -134.4 -14.8 2.23 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -145.08 152.16 39.64 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 121.567 1.985 . . . . 0.0 110.565 -167.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.549 ' HG2' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.72 166.13 13.15 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 127.833 2.453 . . . . 0.0 104.529 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -145.01 130.63 18.92 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -134.03 63.77 1.62 Allowed 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 125.532 1.533 . . . . 0.0 107.327 -160.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 C--O 1.258 1.543 0 C-N-CA 124.561 1.144 . . . . 0.0 109.909 177.282 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -115.0 158.97 21.34 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 125.985 1.714 . . . . 0.0 107.51 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 p -115.36 156.88 24.71 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.553 1.941 . . . . 0.0 106.285 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -141.01 51.39 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.558 HG13 ' H ' ' A' ' 6' ' ' SER . 1.8 t -94.08 -169.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 127.048 2.139 . . . . 0.0 107.156 172.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.558 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.8 p -115.61 133.45 56.02 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.419 1.487 . . . . 0.0 108.075 174.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -142.95 148.94 37.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p -130.41 -48.39 1.08 Allowed 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.41 1.884 . . . . 0.0 107.168 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -101.35 131.39 47.44 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 126.483 1.913 . . . . 0.0 109.782 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 p -88.82 71.78 8.62 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 127.114 2.166 . . . . 0.0 110.974 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HZ1' ' HB3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -171.1 -41.81 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -174.061 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -57.22 -45.76 83.57 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 129.923 3.289 . . . . 0.0 117.352 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -89.72 -20.37 23.67 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.18 2.192 . . . . 0.0 112.716 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.3 p -89.98 0.89 56.85 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.077 2.151 . . . . 0.0 111.459 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -94.91 -29.83 4.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.046 2.138 . . . . 0.0 108.72 176.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.517 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 74.7 m -75.57 -16.63 60.23 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.545 1.538 . . . . 0.0 113.856 166.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -90.01 -43.48 10.5 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 125.221 1.408 . . . . 0.0 112.764 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -90.06 -14.37 33.96 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 126.086 1.754 . . . . 0.0 114.307 -173.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.85 -63.24 1.31 Allowed 'General case' 0 C--N 1.365 1.264 0 C-N-CA 126.6 1.96 . . . . 0.0 108.975 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.532 ' HE1' ' SG ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -104.73 -113.27 0.24 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 175.551 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -177.17 65.25 0.02 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.315 0.961 . . . . 0.0 108.757 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.507 HG22 ' HG ' ' A' ' 37' ' ' SER . 5.7 t -145.11 -166.91 2.54 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.2 m -134.63 -33.05 0.98 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.569 1.548 . . . . 0.0 107.853 -173.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.9 125.27 39.45 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 124.673 1.189 . . . . 0.0 107.847 -168.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.38 133.98 1.68 Allowed Glycine 0 CA--C 1.484 -1.863 0 N-CA-C 106.321 -2.712 . . . . 0.0 106.321 -162.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -133.63 -140.35 0.19 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -169.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 p -155.1 179.28 9.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.3 ttm -96.16 -126.18 0.13 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.029 2.131 . . . . 0.0 107.27 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.51 -38.72 16.95 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.579 1.552 . . . . 0.0 113.432 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HZ3' ' HB3' ' A' ' 31' ' ' LYS . 5.3 mmmp? -142.37 -1.52 1.17 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.45 -165.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -145.05 153.07 41.06 Favored 'General case' 0 CA--C 1.492 -1.277 0 CA-C-N 122.172 2.26 . . . . 0.0 110.269 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -131.0 174.44 10.0 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 104.254 -2.499 . . . . 0.0 104.254 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.532 ' SG ' ' HE1' ' A' ' 21' ' ' HIS . 2.4 t -145.05 140.66 28.26 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -133.13 67.37 1.53 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 -162.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.507 ' HG ' HG22 ' A' ' 23' ' ' THR . 39.4 m . . . . . 0 C--O 1.262 1.72 0 C-N-CA 126.013 1.725 . . . . 0.0 111.135 -173.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.165 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -129.6 159.18 37.18 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.709 1.604 . . . . 0.0 108.057 -166.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.525 ' HG1' ' HG2' ' A' ' 33' ' ' ABA . 6.9 p -124.55 160.11 29.11 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -146.86 52.67 1.09 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.524 HG13 ' H ' ' A' ' 6' ' ' SER . 1.5 t -95.98 -172.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 126.584 1.954 . . . . 0.0 106.769 172.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.524 ' H ' HG13 ' A' ' 5' ' ' VAL . 6.3 p -112.72 132.85 55.02 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.018 1.327 . . . . 0.0 107.534 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.8 p -104.31 167.07 9.99 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 123.432 0.693 . . . . 0.0 111.48 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -131.38 -52.56 1.02 Allowed 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 168.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -123.59 158.23 31.91 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.016 1.727 . . . . 0.0 108.474 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 p -90.02 80.62 6.34 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.986 2.114 . . . . 0.0 109.959 163.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -171.57 -36.73 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.98 -27.69 65.63 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 130.685 3.594 . . . . 0.0 116.992 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -83.55 -27.19 29.48 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.498 2.719 . . . . 0.0 112.969 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.83 -7.03 55.25 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.067 1.747 . . . . 0.0 111.303 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.99 -31.25 4.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 C-N-CA 125.496 1.518 . . . . 0.0 109.851 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -84.84 -17.69 37.23 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.953 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -89.8 -33.36 16.55 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.173 2.189 . . . . 0.0 111.982 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -27.45 29.26 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 125.964 1.705 . . . . 0.0 112.517 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 tp -89.77 -45.35 9.35 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.692 1.997 . . . . 0.0 110.509 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -122.25 -116.67 0.3 Allowed 'General case' 0 C--N 1.362 1.112 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -173.55 63.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.266 0.0 OUTLIER -143.67 157.27 44.53 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -175.2 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -142.06 35.82 1.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.744 2.418 . . . . 0.0 104.658 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.1 107.75 6.23 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 171.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.46 126.4 0.87 Allowed Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 105.605 -2.998 . . . . 0.0 105.605 -169.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -127.05 -146.25 0.33 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 104.381 -2.451 . . . . 0.0 104.381 -168.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.2 ttt -109.03 -132.48 0.32 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -85.1 -36.03 21.41 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.783 1.633 . . . . 0.0 113.407 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HZ2' ' HB3' ' A' ' 31' ' ' LYS . 10.1 mtpm? -137.06 -7.38 1.82 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.035 -169.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -144.76 156.2 43.93 Favored 'General case' 0 CA--C 1.49 -1.328 0 CA-C-N 121.117 1.78 . . . . 0.0 109.044 -164.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.525 ' HG2' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -137.32 179.64 6.28 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -176.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 152.01 39.45 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -142.17 60.6 1.46 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -165.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.263 1.765 0 C-N-CA 127.782 2.433 . . . . 0.0 113.327 166.306 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.365 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -115.57 -28.58 6.75 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 125.756 1.622 . . . . 0.0 108.895 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -126.0 -177.32 3.9 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -147.83 49.38 1.07 Allowed 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.58 HG13 ' H ' ' A' ' 6' ' ' SER . 2.0 t -101.01 -170.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.286 0 C-N-CA 126.307 1.843 . . . . 0.0 106.323 173.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.58 ' H ' HG13 ' A' ' 5' ' ' VAL . 10.2 p -114.49 134.32 55.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.713 1.605 . . . . 0.0 108.379 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -136.44 150.55 48.79 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -123.99 -53.05 1.75 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.197 2.199 . . . . 0.0 107.669 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -116.55 145.03 43.64 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.133 1.773 . . . . 0.0 108.885 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -89.26 70.68 8.25 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.232 2.213 . . . . 0.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.04 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.03 2.532 . . . . 0.0 105.041 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.34 -41.92 88.86 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 128.58 2.752 . . . . 0.0 116.463 -174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.4 m0 -89.97 -23.83 21.43 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 126.766 2.027 . . . . 0.0 112.106 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 p -90.14 12.36 18.12 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.962 2.105 . . . . 0.0 111.628 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.98 -51.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 C-N-CA 127.206 2.202 . . . . 0.0 107.342 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.41 -14.96 62.77 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -86.47 -38.56 17.17 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.817 1.647 . . . . 0.0 111.416 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -84.98 -11.0 56.46 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.276 1.83 . . . . 0.0 112.942 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -89.98 -66.42 0.93 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 128.603 2.761 . . . . 0.0 110.148 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -109.35 -112.59 0.31 Allowed 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.667 1.987 . . . . 0.0 107.04 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -172.71 55.57 0.02 OUTLIER 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.02 150.67 37.29 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -112.68 -15.74 12.93 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 126.11 1.764 . . . . 0.0 107.384 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.93 108.12 20.16 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 127.179 2.192 . . . . 0.0 105.981 -176.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.72 109.99 0.23 Allowed Glycine 0 CA--C 1.488 -1.619 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 -165.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -114.13 -140.92 0.38 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.213 2.205 . . . . 0.0 106.597 -165.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 p -155.1 174.22 15.5 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 121.515 0.674 . . . . 0.0 110.441 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.3 ttm -94.97 -121.47 0.1 Allowed 'General case' 0 C--N 1.366 1.313 0 C-N-CA 127.432 2.293 . . . . 0.0 108.263 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.02 -41.06 16.15 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.741 1.617 . . . . 0.0 113.502 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -139.76 -12.3 1.14 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -166.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -137.63 151.37 48.23 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 121.485 1.948 . . . . 0.0 108.967 -166.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -134.19 -175.25 3.8 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.65 149.03 35.01 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 -173.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.05 65.41 1.26 Allowed 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -163.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.257 1.478 0 C-N-CA 125.073 1.349 . . . . 0.0 112.468 -175.382 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -134.73 155.18 51.01 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 125.449 1.499 . . . . 0.0 107.414 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.594 ' HG1' ' HG3' ' A' ' 33' ' ' ABA . 0.9 OUTLIER -140.03 153.69 46.89 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -141.09 57.88 1.54 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.537 HG13 ' H ' ' A' ' 6' ' ' SER . 2.2 t -104.28 -167.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 127.391 2.276 . . . . 0.0 105.655 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.537 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.2 p -120.5 128.39 53.08 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.656 1.583 . . . . 0.0 107.537 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -141.0 152.27 44.78 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -125.7 -46.4 1.73 Allowed 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.404 1.882 . . . . 0.0 109.398 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 p -112.46 131.58 55.5 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.024 1.73 . . . . 0.0 108.131 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -40.05 -54.89 2.18 Favored 'General case' 0 C--N 1.369 1.43 0 N-CA-C 118.96 2.948 . . . . 0.0 118.96 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.81 -33.95 64.91 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 131.386 3.875 . . . . 0.0 115.965 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -47.94 -40.7 22.88 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 130.344 3.458 . . . . 0.0 118.403 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -89.96 -21.97 22.16 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 126.739 2.016 . . . . 0.0 113.706 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 p -89.93 1.16 56.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.816 2.046 . . . . 0.0 111.147 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -95.09 -33.97 5.17 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 C-N-CA 126.97 2.108 . . . . 0.0 109.451 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.74 -19.06 38.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.663 1.985 . . . . 0.0 113.527 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -89.57 -38.45 13.96 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.058 2.143 . . . . 0.0 111.185 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -89.87 -16.64 29.63 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.848 1.659 . . . . 0.0 112.928 -177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -90.2 -47.15 7.97 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 126.642 1.977 . . . . 0.0 111.253 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -118.28 -117.83 0.32 Allowed 'General case' 0 C--N 1.363 1.175 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -170.02 61.29 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -168.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -144.98 -163.92 1.81 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 103.075 -2.935 . . . . 0.0 103.075 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 p -144.93 3.67 1.08 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.262 0.937 . . . . 0.0 109.305 170.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.91 177.11 4.74 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.475 1.51 . . . . 0.0 107.21 -170.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.13 -178.45 35.28 Favored Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 105.954 -2.859 . . . . 0.0 105.954 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -145.01 -156.37 0.69 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 101.908 -3.368 . . . . 0.0 101.908 164.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 p -153.86 172.7 16.96 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 163.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.2 ttt -99.72 -121.47 0.15 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.552 1.541 . . . . 0.0 108.401 -172.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -84.91 -41.89 15.52 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.28 1.432 . . . . 0.0 112.403 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -144.76 -0.88 0.9 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.685 -165.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -144.94 153.77 41.88 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 122.053 2.206 . . . . 0.0 109.087 -173.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.594 ' HG3' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 22.0 ttt180 -131.07 178.18 6.89 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 174.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.456 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.01 142.59 29.91 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 -170.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -144.9 80.63 1.63 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.261 1.682 0 C-N-CA 126.055 1.742 . . . . 0.0 107.588 176.615 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.354 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -135.86 -11.83 2.0 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.292 1.037 . . . . 0.0 111.061 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 p -133.7 -177.96 4.79 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 169.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -151.74 49.43 0.8 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 6' ' ' SER . 1.6 t -97.77 -171.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 125.781 1.632 . . . . 0.0 107.007 175.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.552 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.2 p -112.12 131.35 55.5 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.573 1.549 . . . . 0.0 108.37 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.9 t -136.72 155.56 49.7 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 121.832 0.825 . . . . 0.0 109.31 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -125.48 -52.65 1.6 Allowed 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.087 2.155 . . . . 0.0 108.585 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 p -109.22 144.71 36.97 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.101 1.76 . . . . 0.0 110.595 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 p -86.14 76.77 9.71 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.134 1.773 . . . . 0.0 109.99 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -174.38 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.837 2.455 . . . . 0.0 105.85 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.85 -26.81 67.09 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 129.503 3.121 . . . . 0.0 117.683 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -84.78 -29.29 25.56 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 127.363 2.265 . . . . 0.0 111.377 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 p -89.95 -0.35 57.52 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.431 1.892 . . . . 0.0 111.772 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.5 t -96.74 -42.8 12.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 126.145 1.778 . . . . 0.0 108.503 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 m -75.5 -12.31 60.21 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.175 1.79 . . . . 0.0 115.78 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.13 -38.35 14.38 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.95 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -79.01 -25.48 43.29 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.092 1.357 . . . . 0.0 113.991 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.09 -73.16 0.53 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 126.678 1.991 . . . . 0.0 110.985 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -95.06 -23.53 17.3 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.687 1.595 . . . . 0.0 114.158 -165.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.485 16.0 p30 67.88 58.61 0.48 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 130.012 3.325 . . . . 0.0 114.056 -172.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 t -145.05 -177.04 5.34 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.3 p -145.03 32.2 1.12 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 111.02 15.52 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 173.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.6 132.68 1.52 Allowed Glycine 0 CA--C 1.489 -1.579 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -133.74 -178.61 5.09 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 p -127.83 172.15 11.12 Favored 'General case' 0 C--N 1.36 1.043 0 O-C-N 120.828 -1.17 . . . . 0.0 110.147 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.2 ttt -97.27 -121.96 0.13 Allowed 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -85.04 -42.64 14.66 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.375 1.47 . . . . 0.0 113.049 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -142.03 -4.11 1.06 Allowed 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -165.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -144.86 151.21 38.39 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-N 121.54 1.973 . . . . 0.0 108.537 -169.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -136.6 170.76 15.53 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.66 150.78 39.23 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -140.57 60.31 1.53 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -162.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.26 1.656 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 175.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.381 0 CA-C-O 121.337 0.589 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -115.81 156.4 26.13 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 173.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.594 ' HG1' ' HG3' ' A' ' 33' ' ' ABA . 3.0 p -114.64 169.41 9.08 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 126.294 1.838 . . . . 0.0 106.931 -170.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -147.59 54.33 1.06 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.513 HG13 ' H ' ' A' ' 6' ' ' SER . 1.4 t -96.83 -170.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.318 0 C-N-CA 126.654 1.981 . . . . 0.0 107.02 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.513 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.5 p -111.09 131.79 54.79 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 125.418 1.487 . . . . 0.0 108.814 173.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 t -138.94 150.64 46.13 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 121.94 0.876 . . . . 0.0 108.685 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.69 -49.08 1.15 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 126.288 1.835 . . . . 0.0 107.315 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -103.18 129.04 49.97 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.817 2.047 . . . . 0.0 109.367 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 p -86.34 72.96 10.25 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 126.968 2.107 . . . . 0.0 111.348 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -175.79 -31.36 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.984 2.113 . . . . 0.0 107.351 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.15 -41.83 97.47 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 129.019 2.928 . . . . 0.0 116.422 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -89.62 -16.36 30.69 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.447 2.299 . . . . 0.0 112.582 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 p -90.05 -2.04 58.05 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 127.576 2.351 . . . . 0.0 111.542 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.18 -34.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 C-N-CA 126.9 2.08 . . . . 0.0 108.698 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 m -69.28 -22.74 63.79 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.981 2.112 . . . . 0.0 114.228 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -45.47 10.43 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.652 2.381 . . . . 0.0 112.714 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -25.42 36.56 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.665 1.986 . . . . 0.0 113.842 -176.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.53 -61.18 1.86 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.877 2.071 . . . . 0.0 109.541 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.405 ' CE1' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -99.97 -115.6 0.16 Allowed 'General case' 0 C--N 1.363 1.194 0 C-N-CA 124.675 1.19 . . . . 0.0 107.87 170.767 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -177.74 58.57 0.01 OUTLIER 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 t -145.06 -178.35 6.0 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.2 m -129.96 -15.04 3.88 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 125.223 1.409 . . . . 0.0 108.341 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.82 112.53 24.25 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.859 1.664 . . . . 0.0 106.812 -169.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.85 133.96 1.57 Allowed Glycine 0 CA--C 1.482 -2.005 0 N-CA-C 107.235 -2.346 . . . . 0.0 107.235 -167.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -132.41 -139.62 0.2 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 104.603 -2.369 . . . . 0.0 104.603 -166.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 p -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.499 -1.019 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.8 ttt -95.31 -123.96 0.11 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.518 2.327 . . . . 0.0 107.496 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -85.33 -43.19 13.92 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.634 1.973 . . . . 0.0 113.242 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -140.98 -3.11 1.26 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.879 -1.058 . . . . 0.0 113.617 -163.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -145.08 152.28 39.83 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 121.539 1.972 . . . . 0.0 109.436 -171.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.594 ' HG3' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -135.55 178.46 7.02 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.405 ' SG ' ' CE1' ' A' ' 21' ' ' HIS . 1.8 t -145.13 151.23 38.15 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.56 61.65 1.47 Allowed 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 -161.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.257 1.498 0 C-N-CA 125.728 1.611 . . . . 0.0 106.996 176.206 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.266 0 CA-C-O 120.726 0.298 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -110.04 148.82 30.98 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.352 1.861 . . . . 0.0 106.17 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.83 176.89 5.06 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 125.356 1.462 . . . . 0.0 107.996 -174.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.02 48.2 0.99 Allowed 'General case' 0 C--N 1.357 0.93 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.548 HG13 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.84 -171.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.42 0 C-N-CA 125.853 1.661 . . . . 0.0 107.543 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.548 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.8 p -108.5 134.83 50.73 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.367 1.467 . . . . 0.0 108.375 175.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -137.4 152.22 49.4 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.028 0.918 . . . . 0.0 109.066 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 p -130.19 -49.06 1.1 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.042 2.137 . . . . 0.0 107.471 172.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.1 p -106.35 138.92 41.66 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.46 1.904 . . . . 0.0 110.379 -172.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 p -88.75 83.69 6.7 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 125.482 1.513 . . . . 0.0 109.73 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -175.02 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.276 2.63 . . . . 0.0 105.183 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -60.08 -28.67 68.0 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 130.335 3.454 . . . . 0.0 116.674 174.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -81.31 -28.98 34.38 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 128.29 2.636 . . . . 0.0 111.974 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -89.93 4.81 48.89 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.37 1.868 . . . . 0.0 112.023 172.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.72 -28.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.22 0 C-N-CA 124.949 1.3 . . . . 0.0 109.999 173.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.2 m -84.47 -17.57 38.66 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.171 1.388 . . . . 0.0 112.275 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -90.08 -28.5 18.97 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.306 1.842 . . . . 0.0 111.899 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -89.56 -21.73 22.73 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.23 1.412 . . . . 0.0 113.542 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -89.89 -50.94 5.74 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 125.394 1.477 . . . . 0.0 109.729 171.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 -114.51 0.31 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -173.32 58.02 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -173.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -145.02 171.61 14.22 Favored 'General case' 0 C--N 1.361 1.074 0 O-C-N 121.268 -0.895 . . . . 0.0 108.999 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.0 p -145.09 37.97 1.16 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -167.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.2 116.48 12.64 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 102.911 -2.996 . . . . 0.0 102.911 165.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.51 132.27 1.46 Allowed Glycine 0 C--N 1.35 1.322 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -172.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 159.24 43.25 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 102.768 -3.049 . . . . 0.0 102.768 -171.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 p -108.47 172.77 6.65 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.643 1.177 . . . . 0.0 110.477 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ttt -97.1 -121.88 0.12 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.195 1.798 . . . . 0.0 108.274 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -85.28 -39.19 18.0 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.652 1.581 . . . . 0.0 114.208 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -136.51 -20.73 1.36 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -160.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 151.35 38.96 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 121.26 1.846 . . . . 0.0 107.36 -167.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -136.67 177.87 7.52 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.09 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -178.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -145.12 61.87 1.3 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 -165.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.258 1.528 0 C-N-CA 125.665 1.586 . . . . 0.0 109.38 -176.288 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.22 0 CA-C-O 120.871 0.367 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -111.53 166.15 11.39 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.476 1.91 . . . . 0.0 106.918 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.06 158.95 15.24 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.734 2.414 . . . . 0.0 108.77 176.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -137.87 54.5 1.8 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 124.882 1.273 . . . . 0.0 108.28 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.551 HG13 ' H ' ' A' ' 6' ' ' SER . 2.0 t -102.29 -167.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 126.864 2.066 . . . . 0.0 106.158 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.551 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.9 p -116.56 132.17 56.75 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.476 1.51 . . . . 0.0 108.31 173.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -145.82 148.65 33.13 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.86 0.838 . . . . 0.0 109.175 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -129.01 -44.61 1.29 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 126.743 2.017 . . . . 0.0 108.362 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -109.73 140.02 44.11 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.004 1.722 . . . . 0.0 109.808 -175.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.9 t -86.84 77.92 9.16 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.798 2.039 . . . . 0.0 109.598 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -174.64 -43.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.109 2.164 . . . . 0.0 105.221 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.8 -45.09 49.5 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 131.012 3.725 . . . . 0.0 118.832 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -90.1 -19.07 24.76 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 127.135 2.174 . . . . 0.0 113.371 -174.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 p -89.88 -0.49 57.59 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.927 2.091 . . . . 0.0 111.142 172.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.2 t -95.34 -41.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 125.997 1.719 . . . . 0.0 109.243 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -82.76 -4.83 58.47 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 126.055 1.742 . . . . 0.0 113.946 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.147 2.179 . . . . 0.0 111.326 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -89.33 -12.08 41.54 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.192 1.797 . . . . 0.0 113.585 -173.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -90.07 -48.35 7.25 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.336 1.854 . . . . 0.0 110.191 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -109.83 -116.05 0.3 Allowed 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.4 1.48 . . . . 0.0 107.269 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -173.0 57.42 0.02 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -170.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -144.71 -156.95 0.74 Allowed 'General case' 0 C--N 1.359 0.995 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 175.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -145.1 -2.42 0.8 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-N 120.092 1.314 . . . . 0.0 110.751 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.77 -170.52 1.88 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.946 1.298 . . . . 0.0 108.621 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.2 168.04 16.52 Favored Glycine 0 N--CA 1.433 -1.566 0 N-CA-C 103.475 -3.85 . . . . 0.0 103.475 -166.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -144.9 170.66 15.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 101.565 -3.494 . . . . 0.0 101.565 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.0 p -133.88 173.43 11.56 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -121.81 0.15 Allowed 'General case' 0 C--N 1.363 1.178 0 C-N-CA 126.184 1.794 . . . . 0.0 107.096 -171.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -85.46 -43.66 13.4 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 124.421 1.088 . . . . 0.0 112.747 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -144.95 3.99 1.09 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.76 -1.114 . . . . 0.0 113.931 -165.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -145.14 152.62 40.32 Favored 'General case' 0 CA--C 1.487 -1.456 0 CA-C-N 121.556 1.98 . . . . 0.0 110.122 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -128.53 173.74 9.99 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.55 135.21 24.73 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -166.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -144.86 92.68 2.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 -168.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.26 1.645 0 N-CA-C 106.387 -1.708 . . . . 0.0 106.387 -178.77 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.224 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -125.06 162.01 25.5 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.055 1.742 . . . . 0.0 107.363 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.522 ' HG1' ' HG2' ' A' ' 33' ' ' ABA . 7.2 p -123.86 156.82 35.51 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 174.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -142.22 52.27 1.47 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.52 HG13 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.41 -172.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.725 2.01 . . . . 0.0 107.001 172.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.52 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.0 p -113.25 132.12 55.65 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.126 1.37 . . . . 0.0 107.537 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.0 p -105.35 170.52 7.83 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.752 0.821 . . . . 0.0 110.8 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 p -132.85 -52.75 0.92 Allowed 'General case' 0 C--N 1.357 0.91 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 168.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -121.18 157.15 30.83 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.252 1.821 . . . . 0.0 108.015 -176.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.3 m -90.08 72.76 7.32 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.107 2.163 . . . . 0.0 109.784 165.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -163.29 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.15 2.58 . . . . 0.0 106.201 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.27 -22.97 67.14 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 130.318 3.447 . . . . 0.0 115.626 177.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -82.2 -30.43 30.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 128.374 2.67 . . . . 0.0 112.213 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.7 p -89.95 -3.3 58.1 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 126.32 1.848 . . . . 0.0 111.335 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 t -96.89 -29.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 C-N-CA 125.755 1.622 . . . . 0.0 109.726 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.2 m -80.81 -17.77 49.7 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -89.76 -35.45 15.72 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.733 1.613 . . . . 0.0 111.45 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -19.93 46.3 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.245 1.818 . . . . 0.0 113.786 -176.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.06 -67.97 0.81 Allowed 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.6 2.36 . . . . 0.0 109.903 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -102.73 -114.83 0.21 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.401 1.88 . . . . 0.0 108.255 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -175.55 58.18 0.02 OUTLIER 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.99 176.93 9.13 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.3 m -127.85 -16.79 4.59 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 124.015 0.926 . . . . 0.0 108.851 -175.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 118.21 31.44 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -172.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.36 131.61 1.27 Allowed Glycine 0 CA--C 1.487 -1.714 0 N-CA-C 104.944 -3.262 . . . . 0.0 104.944 -166.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -129.09 -146.0 0.31 Allowed 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -152.94 174.88 13.57 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 -175.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -107.12 -128.82 0.27 Allowed 'General case' 0 C--N 1.36 1.063 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.92 -42.59 14.85 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.968 1.707 . . . . 0.0 113.058 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -142.32 4.45 1.59 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.62 1.168 . . . . 0.0 112.049 -166.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -144.87 156.89 44.25 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 121.034 1.743 . . . . 0.0 109.037 -173.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.522 ' HG2' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -136.45 169.84 17.02 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -174.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -145.06 137.88 26.3 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -135.97 73.06 1.45 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 -164.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.261 1.669 0 C-N-CA 125.27 1.428 . . . . 0.0 110.185 -177.874 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.34 0 CA-C-O 120.723 0.297 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -100.46 151.75 21.19 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.411 1.885 . . . . 0.0 108.835 -174.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -103.41 -173.54 2.34 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.502 1.521 . . . . 0.0 108.678 -176.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.89 53.3 0.92 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.559 HG13 ' H ' ' A' ' 6' ' ' SER . 1.7 t -99.57 -169.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.117 1.767 . . . . 0.0 106.836 173.089 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.559 ' H ' HG13 ' A' ' 5' ' ' VAL . 9.7 p -114.83 135.66 53.94 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.618 1.567 . . . . 0.0 108.45 174.07 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 t -144.66 148.54 34.39 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -130.41 -47.21 1.08 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 126.562 1.945 . . . . 0.0 107.3 175.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -104.59 129.37 52.7 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.49 1.916 . . . . 0.0 108.698 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -87.53 72.18 9.67 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.68 1.992 . . . . 0.0 111.116 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -172.74 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 126.48 1.912 . . . . 0.0 107.131 -178.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -56.3 -44.94 80.38 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 130.384 3.474 . . . . 0.0 116.791 172.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -90.08 -18.42 25.92 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.263 2.225 . . . . 0.0 113.18 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 p -90.03 0.5 57.08 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 126.792 2.037 . . . . 0.0 111.389 171.45 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.07 -38.18 8.58 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 C-N-CA 126.921 2.089 . . . . 0.0 108.917 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.3 m -79.61 -11.13 59.88 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.005 1.722 . . . . 0.0 114.305 171.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -89.55 -50.16 6.25 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.864 2.065 . . . . 0.0 112.161 -176.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -80.89 -18.74 46.23 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.61 1.964 . . . . 0.0 114.006 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -90.0 -43.14 10.73 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.23 1.812 . . . . 0.0 110.778 178.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -119.36 -115.38 0.32 Allowed 'General case' 0 C--N 1.363 1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -177.06 58.8 0.01 OUTLIER 'General case' 0 C--N 1.353 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 107.617 -175.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.589 ' HG1' HH21 ' A' ' 25' ' ' ARG . 2.9 t -145.03 178.68 7.87 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 178.212 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.1 m -122.16 -15.1 7.81 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 107.997 175.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.589 HH21 ' HG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -94.97 109.36 21.39 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.549 1.939 . . . . 0.0 106.881 -169.117 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.83 112.56 0.33 Allowed Glycine 0 CA--C 1.486 -1.767 0 N-CA-C 106.922 -2.471 . . . . 0.0 106.922 -172.085 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HZ2' ' HB3' ' A' ' 27' ' ' LYS . 5.3 mtpm? -114.03 -146.78 0.41 Allowed 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.034 2.134 . . . . 0.0 105.563 -170.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 p -155.01 176.39 12.6 Favored 'General case' 0 CA--C 1.495 -1.171 0 CA-C-O 121.428 0.632 . . . . 0.0 109.608 175.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 ttm -97.1 -124.06 0.13 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.697 1.999 . . . . 0.0 107.778 174.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.24 -41.13 15.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.204 1.401 . . . . 0.0 113.516 176.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -145.07 4.16 1.07 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -164.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -144.96 150.5 37.06 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-N 121.546 1.975 . . . . 0.0 109.282 179.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -126.62 -171.3 2.37 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 140.8 28.48 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 175.557 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -124.21 -14.27 7.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.714 1.606 . . . . 0.0 108.77 -162.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . 0.287 60.5 p . . . . . 0 C--O 1.26 1.657 0 C-N-CA 129.86 3.264 . . . . 0.0 116.96 174.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -124.21 160.13 28.6 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.104 1.762 . . . . 0.0 106.603 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.456 ' HG1' ' HG2' ' A' ' 33' ' ' ABA . 4.2 p -105.21 154.81 19.71 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.543 1.937 . . . . 0.0 108.015 -179.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -138.56 52.27 1.81 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.547 HG13 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.22 -169.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 127.009 2.124 . . . . 0.0 106.733 174.466 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.547 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.6 p -118.61 130.7 56.02 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 172.324 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 p -101.89 173.09 6.55 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.738 0.815 . . . . 0.0 111.103 -178.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 p -124.77 -56.77 1.57 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 171.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.456 ' HB ' ' HZ2' ' A' ' 11' ' ' LYS . 22.7 p -131.07 159.62 37.06 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.767 1.627 . . . . 0.0 106.99 -178.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -90.04 57.8 3.92 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.907 2.483 . . . . 0.0 111.749 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HZ2' ' HB ' ' A' ' 9' ' ' THR . 22.3 pttm -168.33 -33.33 0.02 OUTLIER 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.844 1.658 . . . . 0.0 109.248 -173.819 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.73 -32.26 65.57 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 128.103 2.561 . . . . 0.0 114.784 -179.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -89.99 -18.65 25.61 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.18 2.592 . . . . 0.0 113.193 177.01 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 p -89.99 -2.62 58.18 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 126.978 2.111 . . . . 0.0 111.141 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.93 -24.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.407 2.283 . . . . 0.0 109.082 177.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -72.37 -29.57 63.9 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.673 1.589 . . . . 0.0 113.174 165.136 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -89.06 -36.36 15.81 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 127.303 2.241 . . . . 0.0 113.161 -169.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -83.86 -19.17 35.33 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.857 2.063 . . . . 0.0 113.327 -177.159 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.13 -61.91 1.58 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.901 2.481 . . . . 0.0 108.889 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -106.21 -112.74 0.27 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.903 1.681 . . . . 0.0 108.671 -177.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -175.72 57.8 0.01 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.298 1.439 . . . . 0.0 107.217 -173.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.76 44.02 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -172.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -126.21 -6.73 6.53 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 126.534 1.933 . . . . 0.0 107.814 178.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.05 112.87 24.53 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.614 1.965 . . . . 0.0 107.265 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.77 163.36 36.84 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 106.171 -2.771 . . . . 0.0 106.171 -169.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -144.98 -150.36 0.32 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.09 175.25 14.08 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 172.714 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 ttt -105.72 -130.2 0.28 Allowed 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -175.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -84.99 -37.91 19.88 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.572 1.549 . . . . 0.0 112.934 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -140.91 -3.05 1.27 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.101 -1.428 . . . . 0.0 113.084 -170.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -141.11 159.85 41.33 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 122.379 2.354 . . . . 0.0 108.353 -171.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.456 ' HG2' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -139.57 173.16 11.83 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -145.11 140.17 27.84 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 -175.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -130.27 40.9 3.47 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 126.247 1.819 . . . . 0.0 106.167 -160.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.26 1.613 0 C-N-CA 126.138 1.775 . . . . 0.0 109.642 177.931 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.93 0 CA-C-O 121.611 0.72 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -117.91 162.83 17.49 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 126.42 1.888 . . . . 0.0 107.147 -174.186 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.432 ' HG1' ' HG2' ' A' ' 33' ' ' ABA . 4.2 p -113.36 151.69 30.93 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 125.887 1.675 . . . . 0.0 107.402 178.449 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -141.91 56.16 1.48 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 -178.3 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.55 HG13 ' H ' ' A' ' 6' ' ' SER . 2.4 t -97.74 -168.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 127.348 2.259 . . . . 0.0 106.295 176.415 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.55 ' H ' HG13 ' A' ' 5' ' ' VAL . 6.3 p -122.39 130.01 52.67 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 172.023 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.36 175.45 5.47 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 123.658 0.783 . . . . 0.0 110.594 -177.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -130.11 -55.36 1.11 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 164.048 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -122.9 151.95 41.26 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.465 1.506 . . . . 0.0 107.943 -177.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -89.9 71.68 7.54 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 127.739 2.416 . . . . 0.0 110.596 173.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -170.09 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 -176.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -60.46 -40.62 91.87 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 130.891 3.676 . . . . 0.0 115.927 177.14 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -90.01 -21.76 22.22 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 127.491 2.316 . . . . 0.0 112.227 174.274 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 p -90.04 8.3 33.26 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.383 2.273 . . . . 0.0 111.044 173.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.08 -43.04 12.86 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 126.725 2.01 . . . . 0.0 108.187 171.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 m -85.19 -5.68 59.32 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 124.602 1.161 . . . . 0.0 114.088 179.056 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -89.96 -37.5 14.31 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.743 2.017 . . . . 0.0 111.793 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.43 -12.48 43.03 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.897 2.079 . . . . 0.0 112.608 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.95 -65.66 1.0 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 128.301 2.641 . . . . 0.0 110.549 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -101.62 -112.57 0.2 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.801 2.04 . . . . 0.0 107.444 -174.181 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.98 57.98 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.98 173.22 12.06 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -179.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 p -144.98 23.61 1.52 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 178.386 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.39 123.72 48.26 Favored 'General case' 0 C--N 1.366 1.303 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 170.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.12 160.76 34.43 Favored Glycine 0 CA--C 1.482 -1.996 0 N-CA-C 104.14 -3.584 . . . . 0.0 104.14 -173.193 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 -170.2 3.36 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 176.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.1 155.64 34.39 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 101.848 -3.39 . . . . 0.0 101.848 174.357 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 ttp -99.45 -122.61 0.15 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 124.472 1.109 . . . . 0.0 108.618 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -85.09 -37.21 20.56 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.235 1.014 . . . . 0.0 113.537 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -136.81 -20.7 1.29 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.829 -166.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -133.22 168.2 18.98 Favored 'General case' 0 C--N 1.365 1.274 0 CA-C-N 121.139 1.79 . . . . 0.0 109.141 -168.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.432 ' HG2' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 15.6 ttm105 -133.49 179.32 6.29 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 172.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.564 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -144.76 143.81 30.86 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 102.985 -2.968 . . . . 0.0 102.985 -169.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -145.07 64.75 1.27 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -169.108 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.259 1.588 0 C-N-CA 125.505 1.522 . . . . 0.0 110.86 -180.0 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.089 0 CA-C-O 121.03 0.443 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.0 153.38 41.43 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 -178.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p -122.29 178.31 5.0 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 172.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.32 49.05 1.84 Allowed 'General case' 0 C--N 1.359 1.009 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 175.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.1 t -102.93 159.92 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 C-N-CA 128.849 2.859 . . . . 0.0 104.318 173.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 p -95.18 139.96 30.77 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 124.994 1.317 . . . . 0.0 110.821 -179.387 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -144.65 151.15 38.54 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -176.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.39 -47.76 0.99 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.342 1.857 . . . . 0.0 107.099 174.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.441 ' HG1' ' HB2' ' A' ' 12' ' ' GLU . 12.3 p -104.45 131.08 52.21 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.426 1.891 . . . . 0.0 109.267 -177.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -88.66 74.21 8.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 127.258 2.223 . . . . 0.0 110.3 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -173.44 -43.29 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -169.189 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HB2' ' HG1' ' A' ' 9' ' ' THR . 2.4 tm-20 -63.55 -42.71 98.37 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 129.323 3.049 . . . . 0.0 116.016 -178.674 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -89.02 -25.87 21.76 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.38 2.272 . . . . 0.0 112.235 176.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -90.03 13.8 13.91 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 111.623 170.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.55 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 126.332 1.853 . . . . 0.0 109.176 172.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.82 -16.08 58.59 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 120.051 1.296 . . . . 0.0 114.3 172.087 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -90.04 -34.99 15.74 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.855 2.062 . . . . 0.0 112.572 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.81 -16.39 30.28 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 126.229 1.812 . . . . 0.0 113.344 -176.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.93 -61.97 1.57 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.07 2.148 . . . . 0.0 109.049 176.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -100.68 -114.54 0.18 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 125.838 1.655 . . . . 0.0 108.076 -178.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -177.73 61.27 0.01 OUTLIER 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -175.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -145.0 -167.21 2.61 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.2 p -135.42 -13.92 2.0 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 123.818 0.847 . . . . 0.0 109.779 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.01 115.52 27.53 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 124.859 1.264 . . . . 0.0 107.669 -172.223 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.44 107.17 0.24 Allowed Glycine 0 CA--C 1.483 -1.91 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -171.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -107.97 -149.47 0.43 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.328 1.851 . . . . 0.0 106.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -155.02 174.75 14.73 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.063 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -119.32 0.1 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.753 1.621 . . . . 0.0 108.726 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -85.01 -41.24 16.0 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.934 1.294 . . . . 0.0 113.529 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -140.12 -11.58 1.1 Allowed 'General case' 0 C--N 1.356 0.887 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -163.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -145.03 149.07 34.46 Favored 'General case' 0 C--N 1.366 1.283 0 CA-C-N 121.765 2.075 . . . . 0.0 109.838 -174.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -129.46 -178.09 4.53 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 104.938 -2.245 . . . . 0.0 104.938 -173.299 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.99 140.68 28.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 -177.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -131.11 34.22 4.06 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.914 2.086 . . . . 0.0 106.291 -162.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.26 1.622 0 C-N-CA 127.233 2.213 . . . . 0.0 111.643 -178.324 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.367 0 CA-C-O 121.314 0.578 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -105.76 164.68 11.74 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 126.895 2.078 . . . . 0.0 106.992 178.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -102.04 168.75 9.19 Favored 'General case' 0 C--N 1.365 1.266 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 175.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -135.83 49.97 2.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.7 t -103.93 155.42 5.73 Favored 'Isoleucine or valine' 0 C--N 1.363 1.156 0 C-N-CA 128.413 2.685 . . . . 0.0 104.289 171.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -95.11 137.9 33.54 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.179 1.392 . . . . 0.0 110.163 -179.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -141.49 147.79 38.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 122.374 1.083 . . . . 0.0 108.776 -176.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 p -132.33 -45.91 0.91 Allowed 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.091 2.156 . . . . 0.0 107.348 175.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.536 ' HG1' ' HB2' ' A' ' 12' ' ' GLU . 6.1 p -105.22 132.72 51.07 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.526 1.93 . . . . 0.0 108.708 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 p -89.85 72.98 7.53 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 126.499 1.92 . . . . 0.0 111.203 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -173.51 -35.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 105.994 -178.261 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.536 ' HB2' ' HG1' ' A' ' 9' ' ' THR . 22.2 tt0 -49.0 -47.04 44.76 Favored 'General case' 0 C--N 1.371 1.508 1 C-N-CA 131.709 4.004 . . . . 0.0 117.963 172.29 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -89.21 -20.67 23.89 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.419 2.287 . . . . 0.0 111.943 179.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 p -90.0 6.92 40.14 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 127.663 2.385 . . . . 0.0 111.731 169.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.4 -36.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.074 1.749 . . . . 0.0 109.132 173.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 m -81.57 -7.67 59.62 Favored 'General case' 0 C--N 1.372 1.56 0 C-N-CA 125.949 1.699 . . . . 0.0 113.501 173.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -89.87 -35.53 15.58 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.149 2.18 . . . . 0.0 111.303 174.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -89.61 -24.46 21.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.565 1.946 . . . . 0.0 113.505 -177.07 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -90.14 -43.69 10.28 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.963 1.705 . . . . 0.0 110.406 178.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -115.09 -119.04 0.31 Allowed 'General case' 0 C--N 1.362 1.132 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -175.21 62.42 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -177.013 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -144.7 -170.58 3.43 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 p -128.64 -35.97 1.88 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 128.02 41.33 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.996 1.718 . . . . 0.0 108.038 -172.326 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.53 100.71 0.14 Allowed Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 105.88 -2.888 . . . . 0.0 105.88 -168.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -106.95 -143.35 0.38 Allowed 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.762 2.425 . . . . 0.0 107.996 -167.072 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 p -155.16 175.14 14.23 Favored 'General case' 0 CA--C 1.495 -1.155 0 C-N-CA 123.696 0.798 . . . . 0.0 108.93 176.074 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -98.42 -118.75 0.14 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.4 1.88 . . . . 0.0 107.661 171.054 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.1 p30 -88.34 -33.64 17.9 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 125.057 1.343 . . . . 0.0 114.429 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -131.56 -35.11 1.32 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -164.144 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -137.39 152.67 49.9 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 120.548 1.522 . . . . 0.0 109.034 -166.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -120.48 -172.58 2.4 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.107 2.163 . . . . 0.0 105.302 178.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 142.08 29.53 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 -178.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -144.79 61.69 1.32 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 -163.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 p . . . . . 0 C--O 1.259 1.596 0 C-N-CA 125.265 1.426 . . . . 0.0 110.949 -178.328 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.209 0 CA-C-O 121.673 0.749 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -105.44 165.0 11.44 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 127.565 2.346 . . . . 0.0 106.728 177.783 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -95.95 177.53 5.72 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 124.908 1.283 . . . . 0.0 108.249 174.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -145.36 52.95 1.19 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.551 HG13 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.16 -172.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.406 0 C-N-CA 125.776 1.631 . . . . 0.0 107.129 170.199 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.551 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.4 p -111.91 132.51 54.69 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.582 1.553 . . . . 0.0 108.062 174.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -137.97 153.47 49.44 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 121.933 0.873 . . . . 0.0 109.815 -177.272 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.1 p -125.81 -47.42 1.67 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.253 2.221 . . . . 0.0 108.752 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 p -112.22 141.23 46.17 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 125.759 1.624 . . . . 0.0 110.765 -170.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 p -86.93 74.34 9.76 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.639 1.976 . . . . 0.0 110.907 177.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -173.94 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.355 0.848 0 C-N-CA 127.423 2.289 . . . . 0.0 105.445 -173.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.56 -29.67 68.09 Favored 'General case' 0 C--N 1.369 1.431 0 C-N-CA 130.154 3.382 . . . . 0.0 117.567 177.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -90.02 -16.28 30.12 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.03 1.732 . . . . 0.0 111.975 -168.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -90.03 -7.09 54.75 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.095 2.158 . . . . 0.0 111.692 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.99 -35.37 6.02 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 C-N-CA 125.469 1.508 . . . . 0.0 109.536 -176.366 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -82.4 -11.48 58.52 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.03 1.332 . . . . 0.0 113.815 175.36 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -87.95 -40.57 13.81 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 125.351 1.46 . . . . 0.0 110.947 173.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.59 58.99 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.349 1.86 . . . . 0.0 113.82 -176.276 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.02 -42.09 11.34 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.965 2.106 . . . . 0.0 111.416 -178.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -118.88 -119.08 0.31 Allowed 'General case' 0 C--N 1.363 1.18 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -178.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.92 56.35 0.02 OUTLIER 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.715 1.606 . . . . 0.0 106.706 -177.388 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 t -145.05 -179.99 6.98 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 p -128.75 -11.47 4.9 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.897 0.879 . . . . 0.0 108.69 -178.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.88 117.46 30.17 Favored 'General case' 0 C--N 1.367 1.352 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -173.054 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.11 124.87 0.76 Allowed Glycine 0 CA--C 1.486 -1.763 0 N-CA-C 106.339 -2.704 . . . . 0.0 106.339 -170.642 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -127.86 -149.5 0.41 Allowed 'General case' 0 C--N 1.358 0.968 0 N-CA-C 104.399 -2.445 . . . . 0.0 104.399 -170.249 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 p -155.09 175.81 13.35 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ttp -98.61 -128.26 0.18 Allowed 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.91 2.084 . . . . 0.0 107.213 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 -36.55 20.13 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.68 1.192 . . . . 0.0 114.008 175.186 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -140.46 -3.74 1.31 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-O 117.384 -1.293 . . . . 0.0 113.989 -166.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -145.07 148.22 33.44 Favored 'General case' 0 CA--C 1.492 -1.279 0 CA-C-N 122.02 2.191 . . . . 0.0 110.045 -174.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -126.48 176.73 6.95 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 -175.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 t -145.03 141.59 29.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -140.67 69.59 1.35 Allowed 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -165.097 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.258 1.547 0 C-N-CA 125.254 1.422 . . . . 0.0 111.06 -175.612 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.254 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -118.37 161.85 19.28 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.444 1.897 . . . . 0.0 107.542 -176.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 p -106.61 170.81 7.71 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.953 2.101 . . . . 0.0 107.268 174.346 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -146.69 52.56 1.1 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.503 HG13 ' H ' ' A' ' 6' ' ' SER . 1.2 t -93.33 -173.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.313 1.845 . . . . 0.0 107.461 170.707 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.503 ' H ' HG13 ' A' ' 5' ' ' VAL . 6.8 p -114.96 130.48 56.93 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.07 1.348 . . . . 0.0 107.658 173.246 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.59 173.17 6.46 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 123.637 0.775 . . . . 0.0 111.768 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 p -123.25 -57.79 1.66 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 169.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 p -132.85 159.01 41.06 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 126.009 1.724 . . . . 0.0 107.251 -176.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 m -90.04 62.39 5.55 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.847 2.459 . . . . 0.0 111.181 175.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -165.45 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.267 1.827 . . . . 0.0 107.58 -178.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -38.69 86.17 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 129.629 3.172 . . . . 0.0 115.493 177.316 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -89.78 -20.6 23.33 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 127.582 2.353 . . . . 0.0 112.734 175.536 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.0 p -89.87 4.56 49.52 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.016 2.126 . . . . 0.0 111.863 171.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -94.9 -26.62 4.35 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 126.788 2.035 . . . . 0.0 108.696 173.029 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 m -69.3 -24.52 63.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.277 1.831 . . . . 0.0 114.833 165.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -89.96 -37.53 14.29 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.199 1.8 . . . . 0.0 112.306 -178.219 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.01 -23.16 36.13 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.641 1.976 . . . . 0.0 113.376 -174.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.98 -63.69 1.24 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.11 2.164 . . . . 0.0 109.714 175.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -101.84 -115.1 0.19 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.687 1.595 . . . . 0.0 108.192 -178.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 p30 179.86 60.95 0.01 OUTLIER 'General case' 0 C--N 1.353 0.753 0 C-N-CA 125.571 1.548 . . . . 0.0 107.297 -177.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -145.02 -179.06 6.37 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 179.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 p -138.96 -13.63 1.21 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.433 0.693 . . . . 0.0 110.393 -172.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.03 123.79 38.71 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 176.437 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.78 158.66 22.29 Favored Glycine 0 CA--C 1.489 -1.57 0 N-CA-C 103.957 -3.657 . . . . 0.0 103.957 -166.396 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -144.96 -154.42 0.54 Allowed 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.08 177.7 11.03 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 174.253 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.0 ttm -107.63 -132.02 0.31 Allowed 'General case' 0 C--N 1.361 1.082 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -35.68 21.69 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.337 1.455 . . . . 0.0 113.2 176.559 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.62 1.15 1.7 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.548 -1.215 . . . . 0.0 112.838 -170.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -145.02 154.12 42.2 Favored 'General case' 0 C--N 1.368 1.374 0 CA-C-N 121.897 2.135 . . . . 0.0 109.444 -173.09 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -138.77 175.64 9.38 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 172.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 t -145.03 143.72 30.63 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 -176.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -135.86 83.55 2.02 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -161.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.261 1.685 0 C-N-CA 125.744 1.618 . . . . 0.0 107.856 165.344 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.013 0 CA-C-O 121.485 0.659 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -125.4 163.81 21.81 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.359 1.864 . . . . 0.0 106.02 -176.646 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.38 172.02 7.24 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.318 1.447 . . . . 0.0 107.57 179.725 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -148.29 49.99 1.03 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 178.145 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.454 HG13 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -94.35 -176.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 125.582 1.553 . . . . 0.0 107.149 170.633 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.454 ' H ' HG13 ' A' ' 5' ' ' VAL . 7.9 p -108.08 134.68 50.61 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.894 1.278 . . . . 0.0 107.86 172.794 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -104.15 170.84 7.67 Favored 'General case' 0 C--N 1.363 1.185 0 CA-C-O 121.421 0.629 . . . . 0.0 110.695 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 p -128.66 -51.38 1.25 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 167.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.7 p -126.05 156.86 39.28 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.932 1.693 . . . . 0.0 107.666 -176.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.523 ' HG ' ' H ' ' A' ' 28' ' ' CYS . 46.2 m -90.0 79.88 6.48 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.108 2.163 . . . . 0.0 108.123 165.342 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -173.93 -42.49 0.01 OUTLIER 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.726 -2.324 . . . . 0.0 104.726 -167.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -65.95 -24.47 66.82 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 131.037 3.735 . . . . 0.0 116.135 177.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -84.59 -28.64 26.41 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 128.045 2.538 . . . . 0.0 112.6 176.535 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 p -90.02 -4.22 57.53 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.929 1.691 . . . . 0.0 111.339 175.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 t -96.64 -28.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 C-N-CA 125.701 1.6 . . . . 0.0 109.913 178.715 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -85.91 -16.25 39.1 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.208 1.003 . . . . 0.0 112.938 176.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -90.05 -32.98 16.5 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 125.67 1.588 . . . . 0.0 111.66 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.23 42.73 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.856 1.662 . . . . 0.0 113.276 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -90.14 -50.33 6.06 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 126.535 1.934 . . . . 0.0 110.588 178.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -118.97 -116.31 0.32 Allowed 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 -177.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -175.84 59.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -176.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -145.07 175.32 10.33 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 p -144.89 32.62 1.13 Allowed 'General case' 0 C--N 1.352 0.676 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -174.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.27 112.42 18.6 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 101.78 -3.415 . . . . 0.0 101.78 175.022 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.15 134.76 2.38 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 106.838 -2.505 . . . . 0.0 106.838 -170.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -145.09 161.57 39.12 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 102.745 -3.057 . . . . 0.0 102.745 -175.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.523 ' H ' ' HG ' ' A' ' 10' ' ' SER . 0.2 OUTLIER -118.78 173.14 7.05 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -174.641 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.3 ttt -106.73 -131.62 0.3 Allowed 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -85.06 -36.52 21.15 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.002 1.721 . . . . 0.0 113.486 175.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -135.43 -12.81 2.07 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.396 -1.288 . . . . 0.0 113.416 -168.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -137.61 156.94 47.5 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-N 121.489 1.95 . . . . 0.0 108.943 -168.185 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -140.78 -177.14 4.93 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -178.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.85 155.84 43.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 -178.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -145.08 65.55 1.26 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -166.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.261 1.705 0 C-N-CA 124.978 1.311 . . . . 0.0 110.699 178.05 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.241 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -124.01 164.69 18.85 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.455 1.902 . . . . 0.0 106.238 -178.486 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p -106.81 -172.41 2.08 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.888 1.675 . . . . 0.0 108.285 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.51 52.3 0.59 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.068 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.527 HG11 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.75 -168.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.312 1.845 . . . . 0.0 107.243 176.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.527 ' H ' HG11 ' A' ' 5' ' ' VAL . 8.1 p -113.49 133.65 55.11 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.54 1.536 . . . . 0.0 108.761 173.679 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -141.67 150.52 42.01 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.61 -48.44 1.16 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.765 2.026 . . . . 0.0 107.421 173.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -107.31 136.71 46.66 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.276 1.83 . . . . 0.0 109.709 -175.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 p -89.9 72.38 7.51 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.893 2.077 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -173.79 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.046 2.138 . . . . 0.0 106.899 -173.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.27 -44.17 97.14 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 129.865 3.266 . . . . 0.0 116.088 177.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -90.16 -18.39 25.87 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 126.916 2.086 . . . . 0.0 112.619 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.8 p -90.1 -0.13 57.44 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 127.214 2.206 . . . . 0.0 111.768 170.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.95 -32.76 4.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.253 0 C-N-CA 127.28 2.232 . . . . 0.0 109.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -82.07 -13.06 57.86 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 125.967 1.707 . . . . 0.0 112.953 171.022 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -89.87 -33.26 16.53 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.265 2.226 . . . . 0.0 111.706 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -24.42 24.87 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.719 2.008 . . . . 0.0 112.998 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.4 tp -90.05 -47.21 7.98 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.074 1.349 . . . . 0.0 110.728 177.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -115.94 -119.08 0.31 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -176.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.88 58.15 0.03 OUTLIER 'General case' 0 C--N 1.35 0.61 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -144.93 -172.94 3.95 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 p -135.98 -26.42 1.18 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 124.16 0.984 . . . . 0.0 108.734 178.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 123.56 38.4 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -173.848 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.83 107.52 0.21 Allowed Glycine 0 CA--C 1.489 -1.569 0 N-CA-C 105.341 -3.104 . . . . 0.0 105.341 -163.135 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.13 -140.53 0.38 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.616 2.366 . . . . 0.0 106.636 -166.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 p -155.13 175.32 13.99 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 121.429 0.633 . . . . 0.0 110.208 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.55 -122.52 0.13 Allowed 'General case' 0 C--N 1.366 1.323 0 C-N-CA 127.044 2.138 . . . . 0.0 107.682 173.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -85.14 -41.21 15.9 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.705 1.602 . . . . 0.0 113.57 179.027 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HZ2' ' HB3' ' A' ' 31' ' ' LYS . 9.6 mtpm? -139.58 -9.64 1.23 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -166.008 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -141.11 152.82 45.06 Favored 'General case' 0 CA--C 1.491 -1.317 0 CA-C-N 121.728 2.058 . . . . 0.0 109.109 -171.072 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -129.39 -178.1 4.53 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 105.11 -2.181 . . . . 0.0 105.11 175.838 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.7 138.74 27.48 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 -178.423 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -140.42 68.77 1.35 Allowed 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -161.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--O 1.262 1.75 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 174.542 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.251 0 CA-C-O 120.992 0.425 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -126.3 -40.03 2.0 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.465 1.906 . . . . 0.0 106.894 175.573 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.569 ' HG1' ' HG3' ' A' ' 33' ' ' ABA . 5.0 p -143.65 172.54 12.67 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 127.5 2.32 . . . . 0.0 105.256 -171.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -149.16 54.02 0.97 Allowed 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.497 HG13 ' H ' ' A' ' 6' ' ' SER . 1.2 t -99.06 -172.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.371 0 C-N-CA 126.125 1.77 . . . . 0.0 106.69 174.515 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.497 ' H ' HG13 ' A' ' 5' ' ' VAL . 8.0 p -110.87 131.84 54.71 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.173 1.389 . . . . 0.0 108.361 173.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -141.37 149.2 40.81 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 122.075 0.941 . . . . 0.0 108.787 -179.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 p -131.48 -47.23 0.98 Allowed 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.465 1.906 . . . . 0.0 107.639 173.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -104.32 130.56 52.15 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 126.706 2.002 . . . . 0.0 109.167 -177.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.4 p -88.0 75.85 8.69 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.729 2.012 . . . . 0.0 110.409 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -173.06 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.025 2.13 . . . . 0.0 105.521 -178.347 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -56.89 -43.58 81.43 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 129.731 3.212 . . . . 0.0 116.803 178.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -90.08 -21.27 22.38 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.963 2.105 . . . . 0.0 112.32 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 p -89.9 6.35 42.35 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.357 2.263 . . . . 0.0 111.407 171.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.66 -40.88 11.39 Favored 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 127.492 2.317 . . . . 0.0 107.732 173.14 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 m -59.6 -26.78 65.73 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.553 2.341 . . . . 0.0 116.047 169.584 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -89.71 -34.43 16.23 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.854 1.662 . . . . 0.0 112.961 177.61 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -29.46 53.04 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.459 2.303 . . . . 0.0 113.833 -177.531 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.94 -63.07 1.33 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.719 2.408 . . . . 0.0 109.151 178.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -104.05 -114.36 0.23 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.467 1.507 . . . . 0.0 108.359 -178.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 179.56 60.3 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.263 1.425 . . . . 0.0 108.285 -176.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.432 ' HG1' ' H ' ' A' ' 24' ' ' SER . 4.7 t -144.94 177.88 8.43 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 177.654 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.432 ' H ' ' HG1' ' A' ' 23' ' ' THR . 68.2 m -141.72 17.29 2.16 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -173.445 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -106.71 119.95 40.69 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 171.043 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.06 134.6 3.38 Favored Glycine 0 CA--C 1.489 -1.563 0 N-CA-C 105.693 -2.963 . . . . 0.0 105.693 -170.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -145.07 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 102.517 -3.142 . . . . 0.0 102.517 174.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -124.89 172.57 9.26 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 108.151 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -122.72 0.14 Allowed 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.65 1.58 . . . . 0.0 108.22 -176.237 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -85.34 -39.22 17.9 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.815 1.646 . . . . 0.0 113.366 179.127 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -139.12 -15.91 1.1 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.363 -1.303 . . . . 0.0 114.047 -162.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -145.02 152.4 40.08 Favored 'General case' 0 CA--C 1.492 -1.277 0 CA-C-N 121.561 1.982 . . . . 0.0 109.474 -166.107 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ABA . . . . . 0.569 ' HG3' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -135.3 173.5 11.65 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 171.044 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -139.09 155.4 47.94 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 103.159 -2.904 . . . . 0.0 103.159 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -142.98 67.84 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -160.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.26 1.607 0 C-N-CA 124.946 1.299 . . . . 0.0 111.455 178.216 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -141.02 53.9 1.57 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.8 -170.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.14 2.176 . . . . 0.0 106.581 174.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.575 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.9 p -114.46 131.69 56.52 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.498 1.519 . . . . 0.0 108.343 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -139.75 150.34 44.67 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 121.989 0.899 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -127.25 -49.79 1.43 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.958 2.103 . . . . 0.0 108.021 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 p -108.46 133.76 52.17 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.124 1.77 . . . . 0.0 109.033 -176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 p -87.48 74.21 9.37 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.171 1.788 . . . . 0.0 111.231 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -172.54 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.207 2.203 . . . . 0.0 105.99 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 . . . . . 0 C--N 1.372 1.573 0 C-N-CA 131.096 3.758 . . . . 0.0 117.999 174.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 m0 . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 p -90.21 -0.2 57.5 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 127.384 2.274 . . . . 0.0 110.751 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.04 -37.08 7.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.394 0 C-N-CA 126.857 2.063 . . . . 0.0 108.387 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.13 -21.76 64.91 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 127.605 2.362 . . . . 0.0 114.57 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -50.08 6.9 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.769 2.428 . . . . 0.0 111.949 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.17 -24.74 60.6 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.549 2.74 . . . . 0.0 115.241 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -54.47 4.04 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.255 2.222 . . . . 0.0 110.47 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.06 -112.18 0.27 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.824 1.65 . . . . 0.0 107.041 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.88 60.52 0.01 OUTLIER 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.491 1.516 . . . . 0.0 107.189 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -144.87 179.67 7.18 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -144.98 20.07 1.61 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -176.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.04 121.44 44.98 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.55 139.48 5.39 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 104.923 -3.271 . . . . 0.0 104.923 -170.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -145.02 159.43 42.96 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 101.406 -3.553 . . . . 0.0 101.406 173.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.7 p -122.76 170.68 9.82 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 ttt -99.03 -122.1 0.14 Allowed 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.458 1.503 . . . . 0.0 108.819 -168.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -86.13 -41.55 14.63 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.978 1.711 . . . . 0.0 112.695 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -144.72 -1.06 0.9 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 117.308 -1.329 . . . . 0.0 113.283 -168.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 CA--C 1.49 -1.352 0 CA-C-N 122.313 2.324 . . . . 0.0 109.891 -169.748 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.49 149.14 35.46 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.13 -2.545 . . . . 0.0 104.13 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -143.99 62.84 1.35 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 -162.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.26 1.618 0 C-N-CA 124.492 1.117 . . . . 0.0 108.47 177.26 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -128.07 49.88 2.12 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.63 158.18 3.76 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 129.032 2.933 . . . . 0.0 104.314 172.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -95.2 135.29 36.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.9 1.28 . . . . 0.0 109.713 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -134.75 147.72 50.08 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 122.299 1.047 . . . . 0.0 109.096 -172.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -128.32 -46.03 1.35 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.311 2.245 . . . . 0.0 107.871 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 p -107.89 139.65 42.18 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 125.586 1.554 . . . . 0.0 110.591 -171.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 p -89.91 85.21 6.3 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.031 1.733 . . . . 0.0 108.734 170.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -177.36 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.353 0.756 0 N-CA-C 103.53 -2.767 . . . . 0.0 103.53 -169.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.367 1.337 0 C-N-CA 131.264 3.826 . . . . 0.0 117.104 -178.002 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 CA--C 1.516 -0.344 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 p -89.79 -8.47 52.05 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.476 1.911 . . . . 0.0 111.31 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 t -98.64 -25.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 125.346 1.458 . . . . 0.0 109.655 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 m -84.19 -19.84 33.37 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 124.56 1.144 . . . . 0.0 112.432 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -89.92 -35.21 15.72 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.052 2.141 . . . . 0.0 112.677 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -85.8 -20.19 29.57 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.525 1.93 . . . . 0.0 113.291 -177.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.9 -63.16 1.32 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.224 2.21 . . . . 0.0 109.261 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -101.83 -114.09 0.2 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 125.736 1.615 . . . . 0.0 107.808 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.7 59.38 0.01 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -145.07 174.45 11.04 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.1 p -145.14 36.18 1.11 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.01 117.51 10.84 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 173.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.83 129.47 1.07 Allowed Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 106.556 -2.617 . . . . 0.0 106.556 -172.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -125.83 -145.61 0.33 Allowed 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -154.53 174.23 15.21 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.21 -121.92 0.13 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.72 2.008 . . . . 0.0 108.141 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -85.37 -42.15 14.82 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.31 1.444 . . . . 0.0 112.95 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mmmp? -144.82 -2.36 0.83 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.48 -1.248 . . . . 0.0 114.024 -166.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt . . . . . 0 CA--C 1.489 -1.381 0 CA-C-N 121.912 2.142 . . . . 0.0 108.776 -178.516 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 . . . . . 0 N--CA 1.44 -0.945 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.91 138.2 26.76 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -136.3 69.91 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 -161.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.26 1.617 0 C-N-CA 125.182 1.393 . . . . 0.0 109.978 179.798 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -144.82 54.7 1.24 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.21 -171.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 126.729 2.011 . . . . 0.0 106.546 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.521 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.8 p -109.97 132.67 53.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.156 1.383 . . . . 0.0 108.17 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -135.36 149.99 49.83 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 122.262 1.03 . . . . 0.0 109.726 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -127.64 -47.39 1.41 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.373 2.269 . . . . 0.0 107.601 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 p -109.3 132.35 54.2 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.813 2.045 . . . . 0.0 110.06 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -89.89 80.33 6.48 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 126.28 1.832 . . . . 0.0 109.885 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -175.61 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.032 2.533 . . . . 0.0 104.71 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--N 1.371 1.501 0 C-N-CA 129.929 3.291 . . . . 0.0 115.361 172.486 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.4 m95 . . . . . 0 CA--C 1.522 -0.115 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.96 -6.0 56.13 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.458 2.303 . . . . 0.0 111.389 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.9 t -97.79 -34.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 125.942 1.697 . . . . 0.0 109.621 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 m -73.46 -18.78 61.09 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 126.576 1.95 . . . . 0.0 114.436 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -47.76 7.94 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.318 2.247 . . . . 0.0 111.054 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.82 3.248 . . . . 0.0 115.922 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.34 -66.25 0.94 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 126.309 1.844 . . . . 0.0 110.254 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -103.05 -110.6 0.24 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.085 1.754 . . . . 0.0 108.127 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -178.85 63.92 0.01 OUTLIER 'General case' 0 C--N 1.353 0.724 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -145.02 -175.56 4.74 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -128.35 -20.28 3.72 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.308 1.443 . . . . 0.0 107.77 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -94.97 122.81 38.01 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 -167.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.89 1.99 Allowed Glycine 0 CA--C 1.488 -1.648 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 -166.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -145.01 158.13 43.91 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 -174.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 p -118.35 169.74 9.49 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 124.295 1.038 . . . . 0.0 108.91 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -100.07 -119.68 0.15 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 125.468 1.507 . . . . 0.0 108.168 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -85.0 -39.51 17.97 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.713 1.205 . . . . 0.0 114.189 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -138.34 -19.42 1.1 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -162.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 CA--C 1.491 -1.304 0 CA-C-N 121.479 1.945 . . . . 0.0 108.854 -167.283 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 . . . . . 0 CA--C 1.508 -0.639 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.89 150.47 37.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -144.37 75.11 1.45 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.26 1.642 0 C-N-CA 124.887 1.275 . . . . 0.0 108.975 176.786 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -150.4 55.43 0.92 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -102.85 -167.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.23 0 C-N-CA 126.251 1.82 . . . . 0.0 106.278 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.568 ' H ' HG12 ' A' ' 5' ' ' VAL . 9.2 p -114.03 134.76 54.64 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.326 1.451 . . . . 0.0 108.593 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.66 150.74 42.31 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-O 121.822 0.82 . . . . 0.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.94 -48.34 1.13 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.544 1.938 . . . . 0.0 107.637 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 p -107.83 133.9 51.54 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.366 1.866 . . . . 0.0 109.332 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -89.38 72.04 8.06 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.505 1.922 . . . . 0.0 110.712 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -168.21 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.355 0.825 0 C-N-CA 127.789 2.436 . . . . 0.0 106.838 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--N 1.374 1.669 0 C-N-CA 129.245 3.018 . . . . 0.0 115.948 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.2 m0 . . . . . 0 CA--C 1.524 -0.054 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 p -90.05 -0.56 57.65 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.091 2.156 . . . . 0.0 111.129 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -95.12 -33.24 4.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 127.577 2.351 . . . . 0.0 109.176 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 m -80.86 -14.67 57.81 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.896 1.678 . . . . 0.0 113.132 170.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -87.88 -55.08 3.92 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 127.027 2.131 . . . . 0.0 112.005 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -79.13 -14.06 59.35 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 126.702 2.001 . . . . 0.0 114.587 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.3 tp -89.97 -48.35 7.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.096 1.758 . . . . 0.0 110.606 174.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.78 -115.16 0.33 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -173.98 58.32 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -145.06 -178.96 6.31 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -129.28 -15.36 4.14 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.297 1.439 . . . . 0.0 107.641 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.99 123.31 38.39 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 125.938 1.695 . . . . 0.0 107.429 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.15 146.86 5.63 Favored Glycine 0 CA--C 1.486 -1.738 0 N-CA-C 104.588 -3.405 . . . . 0.0 104.588 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -135.79 -151.34 0.41 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -155.05 175.24 14.08 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 168.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.94 -123.27 0.15 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.303 1.841 . . . . 0.0 107.175 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -84.86 -41.29 16.17 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.753 1.621 . . . . 0.0 113.579 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -144.97 -1.56 0.85 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.506 -1.235 . . . . 0.0 113.636 -164.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 pttm . . . . . 0 CA--C 1.487 -1.457 0 CA-C-N 121.58 1.991 . . . . 0.0 109.306 -175.638 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 N--CA 1.443 -0.812 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.99 139.43 27.48 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -142.41 68.13 1.32 Allowed 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 -163.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.259 1.571 0 C-N-CA 124.858 1.263 . . . . 0.0 108.219 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.17 45.48 2.61 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.415 1.486 . . . . 0.0 107.369 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.9 t -102.91 157.33 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 C-N-CA 128.681 2.793 . . . . 0.0 104.278 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -94.87 139.37 31.4 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 125.063 1.345 . . . . 0.0 110.889 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 t -144.62 148.48 34.37 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 122.078 0.942 . . . . 0.0 108.47 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -128.59 -45.12 1.34 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.173 2.189 . . . . 0.0 107.995 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 p -111.29 139.51 46.62 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 125.923 1.689 . . . . 0.0 109.675 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 t -89.93 80.79 6.37 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.749 2.02 . . . . 0.0 109.18 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -177.25 -39.25 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.584 2.354 . . . . 0.0 104.85 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 C--N 1.37 1.481 0 C-N-CA 131.105 3.762 . . . . 0.0 117.739 176.532 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 p -90.12 0.66 57.04 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.273 2.229 . . . . 0.0 111.826 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -95.05 -28.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 126.354 1.862 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.9 m -85.67 -9.1 57.72 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 124.85 1.26 . . . . 0.0 112.54 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -89.83 -34.93 15.95 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.476 2.31 . . . . 0.0 111.403 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -84.99 -26.79 26.89 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 127.31 2.244 . . . . 0.0 112.818 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.9 tp -89.91 -45.47 9.21 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.646 1.578 . . . . 0.0 110.614 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -116.6 -118.12 0.32 Allowed 'General case' 0 C--N 1.363 1.153 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -173.86 59.34 0.02 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.88 -170.71 3.47 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 105.823 -1.918 . . . . 0.0 105.823 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -132.84 -32.13 1.27 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 124.935 1.294 . . . . 0.0 108.471 -172.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 124.27 38.83 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.702 1.601 . . . . 0.0 107.701 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.49 104.63 0.18 Allowed Glycine 0 CA--C 1.49 -1.482 0 N-CA-C 105.811 -2.916 . . . . 0.0 105.811 -166.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -108.72 -147.83 0.42 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.06 2.944 . . . . 0.0 106.48 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -154.94 175.15 14.16 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.816 0.817 . . . . 0.0 110.173 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 -124.74 0.11 Allowed 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.824 2.45 . . . . 0.0 106.746 171.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -86.69 -38.14 17.28 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.368 1.467 . . . . 0.0 114.011 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mmmp? -142.19 -7.28 0.92 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.021 -1.466 . . . . 0.0 114.338 -162.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.9 pttt . . . . . 0 CA--C 1.491 -1.316 0 CA-C-N 122.38 2.355 . . . . 0.0 109.423 177.363 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.95 141.94 29.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -144.41 64.94 1.29 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -162.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.615 0 C-N-CA 125.075 1.35 . . . . 0.0 108.226 -177.842 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.94 49.29 0.99 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -93.87 -176.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 126.207 1.803 . . . . 0.0 106.911 170.425 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' HG12 ' A' ' 5' ' ' VAL . 5.7 p -110.19 134.93 51.72 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -102.86 172.04 7.05 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.75 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.7 p -126.45 -56.11 1.42 Allowed 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 165.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 p -128.23 159.74 34.28 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 124.715 1.206 . . . . 0.0 108.964 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 t -90.07 83.38 6.07 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.714 2.806 . . . . 0.0 107.61 166.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttp 179.75 -45.94 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.981 -2.599 . . . . 0.0 103.981 -174.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--N 1.367 1.342 0 C-N-CA 129.369 3.067 . . . . 0.0 115.542 -173.497 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.2 m0 . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.9 p -90.04 3.78 52.2 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 127.06 2.144 . . . . 0.0 111.223 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.05 -30.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.481 2.312 . . . . 0.0 108.8 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.9 m -71.02 -19.85 62.46 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 125.74 1.616 . . . . 0.0 115.158 166.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -87.38 -40.67 14.21 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.781 2.032 . . . . 0.0 112.026 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -80.41 -20.22 44.45 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.232 2.213 . . . . 0.0 113.583 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.99 -65.47 1.01 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.568 2.347 . . . . 0.0 109.28 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -100.31 -113.7 0.18 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.806 1.642 . . . . 0.0 108.364 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -175.86 56.8 0.01 OUTLIER 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 t -145.01 -172.89 3.94 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 p -131.62 -33.0 1.45 Allowed 'General case' 0 C--N 1.359 1.001 0 C-N-CA 125.391 1.476 . . . . 0.0 107.984 -173.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 123.55 38.41 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 125.433 1.493 . . . . 0.0 107.764 -169.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.64 130.62 1.14 Allowed Glycine 0 CA--C 1.484 -1.892 0 N-CA-C 105.953 -2.859 . . . . 0.0 105.953 -164.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -126.29 -141.6 0.28 Allowed 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 -166.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.1 -179.85 8.46 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.3 ttt -98.83 -125.85 0.16 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.948 1.699 . . . . 0.0 107.181 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -85.45 -39.62 17.32 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.977 1.711 . . . . 0.0 113.219 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -137.53 -10.87 1.62 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.393 -1.289 . . . . 0.0 114.202 -165.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.487 -1.464 0 CA-C-N 121.607 2.003 . . . . 0.0 108.299 -170.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 CA--C 1.502 -0.875 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.18 154.87 42.88 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 176.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -142.6 61.2 1.43 Allowed 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.258 1.55 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 173.873 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -145.56 54.24 1.18 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.591 HG12 ' H ' ' A' ' 6' ' ' SER . 1.9 t -103.64 -169.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.234 0 C-N-CA 127.135 2.174 . . . . 0.0 105.667 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.591 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -114.08 129.53 56.61 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.33 1.452 . . . . 0.0 107.96 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -137.55 151.8 48.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.16 0.981 . . . . 0.0 109.848 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 p -125.8 -44.57 1.79 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 127.393 2.277 . . . . 0.0 108.794 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.2 p -112.57 138.76 48.88 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.166 1.786 . . . . 0.0 111.117 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -86.79 84.45 7.36 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.759 2.024 . . . . 0.0 108.705 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -178.7 -39.18 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 127.815 2.446 . . . . 0.0 104.535 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.369 1.444 0 C-N-CA 129.171 2.988 . . . . 0.0 115.784 178.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 . . . . . 0 CA--C 1.52 -0.194 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 p -90.08 -7.83 52.86 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.389 2.276 . . . . 0.0 111.789 170.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.97 -29.02 4.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.391 0 C-N-CA 126.626 1.971 . . . . 0.0 109.498 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -78.51 -22.87 46.74 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 125.954 1.702 . . . . 0.0 112.518 170.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -89.19 -32.43 17.46 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.172 2.189 . . . . 0.0 111.599 -174.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.73 -25.91 32.45 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.204 1.802 . . . . 0.0 112.815 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -90.05 -50.73 5.85 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.903 2.081 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -118.22 -116.19 0.32 Allowed 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -172.07 59.17 0.03 OUTLIER 'General case' 0 C--N 1.354 0.777 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.95 160.13 41.82 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 -175.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 p -119.5 -18.0 8.58 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.695 1.998 . . . . 0.0 107.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 108.97 21.09 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.329 1.852 . . . . 0.0 106.8 -169.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.7 126.54 0.91 Allowed Glycine 0 CA--C 1.486 -1.757 0 N-CA-C 106.611 -2.596 . . . . 0.0 106.611 -166.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -127.06 -149.48 0.41 Allowed 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -169.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.02 172.96 17.25 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 32.6 ttm -99.38 -121.23 0.15 Allowed 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.224 1.81 . . . . 0.0 108.112 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -85.03 -43.2 14.15 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.616 1.567 . . . . 0.0 112.838 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -140.93 -6.55 1.1 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.562 -1.208 . . . . 0.0 113.972 -165.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 pttm . . . . . 0 CA--C 1.49 -1.354 0 CA-C-N 121.566 1.985 . . . . 0.0 108.842 -169.069 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 . . . . . 0 CA--C 1.505 -0.752 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -135.19 152.49 51.62 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 169.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -139.39 56.77 1.66 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -160.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.262 1.711 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 165.403 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -141.87 45.31 1.69 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.2 t -94.99 163.49 2.26 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 C-N-CA 128.769 2.828 . . . . 0.0 105.135 170.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 p -95.57 139.86 31.22 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.144 1.378 . . . . 0.0 110.086 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -136.18 151.35 49.63 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 122.034 0.921 . . . . 0.0 109.046 -174.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -123.34 -54.06 1.79 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.125 2.17 . . . . 0.0 108.277 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -111.44 144.2 41.04 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.259 1.824 . . . . 0.0 109.581 -171.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 p -89.88 77.19 7.01 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 125.825 1.65 . . . . 0.0 110.177 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -173.19 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.832 0 C-N-CA 129.668 3.187 . . . . 0.0 105.305 -174.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.371 1.507 0 C-N-CA 129.391 3.076 . . . . 0.0 116.333 175.467 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 p -90.03 2.61 54.99 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.179 1.792 . . . . 0.0 111.738 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -103.9 -31.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 125.631 1.572 . . . . 0.0 109.814 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.5 m -87.5 -18.52 29.65 Favored 'General case' 0 C--N 1.374 1.655 0 CA-C-N 119.79 1.177 . . . . 0.0 113.428 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -89.17 -28.98 19.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.44 1.496 . . . . 0.0 111.438 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.53 -29.02 33.69 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 127.009 2.124 . . . . 0.0 112.921 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.1 -48.26 7.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.761 1.625 . . . . 0.0 110.959 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -122.38 -116.59 0.3 Allowed 'General case' 0 C--N 1.361 1.1 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -173.09 57.77 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -145.23 173.56 11.84 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 p -132.3 0.79 3.76 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 124.895 1.278 . . . . 0.0 108.7 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 108.77 21.21 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.38 127.11 1.03 Allowed Glycine 0 CA--C 1.489 -1.591 0 N-CA-C 107.701 -2.16 . . . . 0.0 107.701 -170.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -144.97 157.35 44.16 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 102.572 -3.121 . . . . 0.0 102.572 -172.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.48 171.85 7.2 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.148 1.379 . . . . 0.0 110.556 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 ttt -96.7 -123.17 0.12 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.698 1.999 . . . . 0.0 108.65 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -84.91 -38.22 19.64 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 126.196 1.799 . . . . 0.0 113.792 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -133.02 -24.7 1.87 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -163.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.4 pttt . . . . . 0 CA--C 1.492 -1.284 0 CA-C-N 120.644 1.565 . . . . 0.0 108.892 -163.358 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.57 151.79 39.58 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.17 -2.53 . . . . 0.0 104.17 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -141.21 64.42 1.42 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 -161.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--O 1.256 1.432 0 C-N-CA 124.954 1.302 . . . . 0.0 107.999 175.53 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -129.53 49.15 2.29 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.678 1.591 . . . . 0.0 106.719 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.46 155.91 4.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 C-N-CA 128.765 2.826 . . . . 0.0 104.152 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -95.13 136.06 35.93 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.058 1.343 . . . . 0.0 110.782 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.5 t -141.97 149.16 39.72 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 122.077 0.941 . . . . 0.0 108.617 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 p -132.08 -47.86 0.93 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.653 1.981 . . . . 0.0 106.84 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 p -99.93 127.73 46.09 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.863 2.065 . . . . 0.0 109.441 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.7 p -88.7 72.72 8.63 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 127.221 2.209 . . . . 0.0 111.369 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -177.64 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.444 2.298 . . . . 0.0 106.674 -175.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.371 1.511 0 C-N-CA 129.001 2.92 . . . . 0.0 115.867 178.049 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.9 m0 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 p -90.05 -0.88 57.83 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.607 2.363 . . . . 0.0 111.09 171.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.07 -41.67 12.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 126.377 1.871 . . . . 0.0 108.564 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.36 -8.79 57.44 Favored 'General case' 0 C--N 1.367 1.353 0 C-N-CA 125.916 1.686 . . . . 0.0 114.878 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.98 -52.6 4.88 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 127.098 2.159 . . . . 0.0 111.067 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -77.41 -16.24 58.93 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.458 2.703 . . . . 0.0 114.829 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.88 -63.51 1.27 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.784 2.034 . . . . 0.0 108.988 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -99.66 -112.32 0.18 Allowed 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.778 1.631 . . . . 0.0 108.873 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 p30 178.3 63.73 0.01 OUTLIER 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.297 1.439 . . . . 0.0 107.33 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -145.01 -175.93 4.89 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 p -128.0 -30.43 2.46 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.511 1.125 . . . . 0.0 108.503 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.82 121.63 36.61 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.114 1.765 . . . . 0.0 107.063 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.55 103.07 0.16 Allowed Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 105.753 -2.939 . . . . 0.0 105.753 -167.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -109.86 -139.46 0.38 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.776 2.43 . . . . 0.0 106.689 -167.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 p -155.01 174.45 15.16 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-O 121.728 0.775 . . . . 0.0 109.892 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ttt -99.32 -121.56 0.15 Allowed 'General case' 0 C--N 1.363 1.192 0 C-N-CA 127.211 2.204 . . . . 0.0 107.973 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -84.81 -42.22 15.34 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.227 1.811 . . . . 0.0 113.204 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.6 -10.79 1.38 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.736 -1.126 . . . . 0.0 113.866 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 CA--C 1.496 -1.126 0 CA-C-N 121.511 1.96 . . . . 0.0 109.395 -170.2 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 . . . . . 0 N--CA 1.444 -0.762 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.93 145.17 31.44 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 -169.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -143.87 59.66 1.37 Allowed 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -162.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.259 1.561 0 C-N-CA 125.177 1.391 . . . . 0.0 108.298 -178.809 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -131.62 51.36 2.15 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.528 1.531 . . . . 0.0 107.165 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -102.56 157.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 C-N-CA 128.54 2.736 . . . . 0.0 104.637 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -94.96 134.41 37.66 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.856 1.262 . . . . 0.0 110.464 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -141.48 149.75 41.33 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 122.293 1.044 . . . . 0.0 108.878 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -130.81 -46.92 1.04 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.128 2.171 . . . . 0.0 107.474 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -104.3 133.02 49.9 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.498 1.919 . . . . 0.0 109.607 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -85.99 76.5 9.82 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.796 2.038 . . . . 0.0 110.711 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.18 -46.79 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -175.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.37 1.479 0 C-N-CA 130.061 3.344 . . . . 0.0 116.986 -175.163 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m0 . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -89.76 10.57 22.97 Favored 'General case' 0 C--N 1.371 1.531 0 C-N-CA 127.313 2.245 . . . . 0.0 111.484 172.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.13 -42.68 12.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.273 0 C-N-CA 127.333 2.253 . . . . 0.0 106.989 169.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.91 2.17 31.77 Favored 'General case' 0 C--N 1.366 1.291 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -89.79 -44.49 9.93 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 124.994 1.317 . . . . 0.0 110.989 170.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.38 -16.68 41.94 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.35 1.86 . . . . 0.0 113.628 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -90.07 -68.2 0.8 Allowed 'General case' 0 C--N 1.365 1.265 0 C-N-CA 127.6 2.36 . . . . 0.0 109.308 171.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -104.13 -114.65 0.23 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 125.907 1.683 . . . . 0.0 108.229 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -178.13 82.18 0.02 OUTLIER 'General case' 0 C--N 1.354 0.766 0 C-N-CA 126.056 1.742 . . . . 0.0 106.682 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -134.11 176.57 8.47 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 p -144.96 28.78 1.23 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 162.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.7 126.4 22.12 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.48 156.18 26.38 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 105.006 -3.238 . . . . 0.0 105.006 -172.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -145.01 174.73 10.78 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 p -137.68 173.19 11.91 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 ttt -101.73 -122.13 0.17 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.602 1.561 . . . . 0.0 109.0 -171.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -85.03 -37.9 19.82 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.725 1.61 . . . . 0.0 112.933 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -139.12 -16.46 1.08 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.781 -1.58 . . . . 0.0 114.069 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 pttp . . . . . 0 C--N 1.366 1.296 0 CA-C-N 122.325 2.33 . . . . 0.0 110.49 -164.745 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 . . . . . 0 CA--C 1.506 -0.723 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 t -144.06 135.25 25.55 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 -171.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -139.27 83.96 1.97 Allowed 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -163.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 C--O 1.259 1.566 0 C-N-CA 124.914 1.286 . . . . 0.0 110.946 -179.048 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -148.13 57.25 1.08 Allowed 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 6' ' ' SER . 1.3 t -99.64 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.32 0 C-N-CA 126.451 1.9 . . . . 0.0 106.811 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.526 ' H ' HG12 ' A' ' 5' ' ' VAL . 11.3 p -109.13 133.13 53.41 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.458 1.503 . . . . 0.0 108.841 173.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -140.51 150.64 43.98 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.11 -47.89 1.01 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.141 1.776 . . . . 0.0 107.252 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -104.79 130.1 52.94 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.595 1.958 . . . . 0.0 108.736 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -88.83 77.67 7.75 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.397 1.879 . . . . 0.0 109.651 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -171.98 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.355 0.82 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--N 1.37 1.489 0 C-N-CA 131.337 3.855 . . . . 0.0 117.087 178.814 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m0 . . . . . 0 C--O 1.231 0.084 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -90.14 -2.07 58.03 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 127.526 2.33 . . . . 0.0 111.263 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.4 t -95.0 -30.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 C-N-CA 127.026 2.13 . . . . 0.0 108.936 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.6 m -74.05 -16.7 61.04 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.785 1.634 . . . . 0.0 114.496 168.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -87.18 -52.86 5.17 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.228 2.211 . . . . 0.0 111.858 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -81.24 -9.51 59.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 127.145 2.178 . . . . 0.0 114.972 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -90.01 -64.78 1.09 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 127.012 2.125 . . . . 0.0 109.072 170.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -99.45 -112.94 0.17 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.32 1.848 . . . . 0.0 108.252 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -176.47 59.04 0.01 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -144.99 178.97 7.66 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -145.11 19.0 1.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.62 124.11 44.45 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 103.719 -2.696 . . . . 0.0 103.719 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.43 122.12 0.67 Allowed Glycine 0 CA--C 1.481 -2.066 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -117.37 -143.25 0.37 Allowed 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.305 2.242 . . . . 0.0 105.35 -169.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -155.13 174.49 15.12 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 ttt -96.16 -125.48 0.13 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.138 2.175 . . . . 0.0 107.42 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -86.18 -38.29 17.83 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.46 1.504 . . . . 0.0 113.576 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -134.4 -14.8 2.23 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.6 pttt . . . . . 0 C--N 1.362 1.149 0 CA-C-N 121.567 1.985 . . . . 0.0 110.565 -167.047 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 CA--C 1.505 -0.756 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -145.01 130.63 18.92 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -134.03 63.77 1.62 Allowed 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 125.532 1.533 . . . . 0.0 107.327 -160.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 C--O 1.258 1.543 0 C-N-CA 124.561 1.144 . . . . 0.0 109.909 177.282 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.448 -0.546 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -141.01 51.39 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.604 HG12 ' H ' ' A' ' 6' ' ' SER . 1.8 t -94.08 -169.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 127.048 2.139 . . . . 0.0 107.156 172.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.604 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.8 p -115.61 133.45 56.02 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.419 1.487 . . . . 0.0 108.075 174.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -142.95 148.94 37.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p -130.41 -48.39 1.08 Allowed 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.41 1.884 . . . . 0.0 107.168 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -101.35 131.39 47.44 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 126.483 1.913 . . . . 0.0 109.782 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 p -88.82 71.78 8.62 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 127.114 2.166 . . . . 0.0 110.974 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.1 -41.81 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -174.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.371 1.518 0 C-N-CA 129.923 3.289 . . . . 0.0 117.352 -179.164 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m0 . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.3 p -89.98 0.89 56.85 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.077 2.151 . . . . 0.0 111.459 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -94.91 -29.83 4.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.046 2.138 . . . . 0.0 108.72 176.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.7 m -75.57 -16.63 60.23 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.545 1.538 . . . . 0.0 113.856 166.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -90.01 -43.48 10.5 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 125.221 1.408 . . . . 0.0 112.764 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -90.06 -14.37 33.96 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 126.086 1.754 . . . . 0.0 114.307 -173.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.85 -63.24 1.31 Allowed 'General case' 0 C--N 1.365 1.264 0 C-N-CA 126.6 1.96 . . . . 0.0 108.975 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.42 ' HD2' HG22 ' A' ' 23' ' ' THR . 0.1 OUTLIER -104.73 -113.27 0.24 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 175.551 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.17 65.25 0.02 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.315 0.961 . . . . 0.0 108.757 -177.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.42 HG22 ' HD2' ' A' ' 21' ' ' HIS . 5.7 t -145.11 -166.91 2.54 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.2 m -134.63 -33.05 0.98 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.569 1.548 . . . . 0.0 107.853 -173.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.9 125.27 39.45 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 124.673 1.189 . . . . 0.0 107.847 -168.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.38 133.98 1.68 Allowed Glycine 0 CA--C 1.484 -1.863 0 N-CA-C 106.321 -2.712 . . . . 0.0 106.321 -162.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -133.63 -140.35 0.19 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -169.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 p -155.1 179.28 9.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.3 ttm -96.16 -126.18 0.13 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.029 2.131 . . . . 0.0 107.27 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.51 -38.72 16.95 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.579 1.552 . . . . 0.0 113.432 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mmmp? -142.37 -1.52 1.17 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.45 -165.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 pttp . . . . . 0 CA--C 1.492 -1.277 0 CA-C-N 122.172 2.26 . . . . 0.0 110.269 -178.497 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 . . . . . 0 CA--C 1.502 -0.874 0 N-CA-C 104.254 -2.499 . . . . 0.0 104.254 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.05 140.66 28.26 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -133.13 67.37 1.53 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 -162.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.262 1.72 0 C-N-CA 126.013 1.725 . . . . 0.0 111.135 -173.726 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -146.86 52.67 1.09 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -95.98 -172.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 126.584 1.954 . . . . 0.0 106.769 172.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.543 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -112.72 132.85 55.02 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.018 1.327 . . . . 0.0 107.534 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.8 p -104.31 167.07 9.99 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 123.432 0.693 . . . . 0.0 111.48 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -131.38 -52.56 1.02 Allowed 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 168.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -123.59 158.23 31.91 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.016 1.727 . . . . 0.0 108.474 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 p -90.02 80.62 6.34 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.986 2.114 . . . . 0.0 109.959 163.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -171.57 -36.73 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 C--N 1.368 1.412 0 C-N-CA 130.685 3.594 . . . . 0.0 116.992 175.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 . . . . . 0 CA--C 1.513 -0.467 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.83 -7.03 55.25 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.067 1.747 . . . . 0.0 111.303 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.99 -31.25 4.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 C-N-CA 125.496 1.518 . . . . 0.0 109.851 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -84.84 -17.69 37.23 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.953 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -89.8 -33.36 16.55 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.173 2.189 . . . . 0.0 111.982 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -27.45 29.26 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 125.964 1.705 . . . . 0.0 112.517 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 tp -89.77 -45.35 9.35 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.692 1.997 . . . . 0.0 110.509 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -122.25 -116.67 0.3 Allowed 'General case' 0 C--N 1.362 1.112 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -173.55 63.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.266 0.0 OUTLIER -143.67 157.27 44.53 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -175.2 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -142.06 35.82 1.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.744 2.418 . . . . 0.0 104.658 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.1 107.75 6.23 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 171.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.46 126.4 0.87 Allowed Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 105.605 -2.998 . . . . 0.0 105.605 -169.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -127.05 -146.25 0.33 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 104.381 -2.451 . . . . 0.0 104.381 -168.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.2 ttt -109.03 -132.48 0.32 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -85.1 -36.03 21.41 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.783 1.633 . . . . 0.0 113.407 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -137.06 -7.38 1.82 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.035 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 pttt . . . . . 0 CA--C 1.49 -1.328 0 CA-C-N 121.117 1.78 . . . . 0.0 109.044 -164.851 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 . . . . . 0 CA--C 1.506 -0.738 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 152.01 39.45 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -142.17 60.6 1.46 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -165.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.263 1.765 0 C-N-CA 127.782 2.433 . . . . 0.0 113.327 166.306 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -147.83 49.38 1.07 Allowed 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 6' ' ' SER . 2.0 t -101.01 -170.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.286 0 C-N-CA 126.307 1.843 . . . . 0.0 106.323 173.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.629 ' H ' HG12 ' A' ' 5' ' ' VAL . 10.2 p -114.49 134.32 55.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.713 1.605 . . . . 0.0 108.379 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -136.44 150.55 48.79 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -123.99 -53.05 1.75 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.197 2.199 . . . . 0.0 107.669 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -116.55 145.03 43.64 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.133 1.773 . . . . 0.0 108.885 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -89.26 70.68 8.25 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.232 2.213 . . . . 0.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.04 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.03 2.532 . . . . 0.0 105.041 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.369 1.454 0 C-N-CA 128.58 2.752 . . . . 0.0 116.463 -174.91 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.4 m0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 p -90.14 12.36 18.12 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.962 2.105 . . . . 0.0 111.628 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.98 -51.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 C-N-CA 127.206 2.202 . . . . 0.0 107.342 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.41 -14.96 62.77 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -86.47 -38.56 17.17 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.817 1.647 . . . . 0.0 111.416 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -84.98 -11.0 56.46 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.276 1.83 . . . . 0.0 112.942 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -89.98 -66.42 0.93 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 128.603 2.761 . . . . 0.0 110.148 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -109.35 -112.59 0.31 Allowed 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.667 1.987 . . . . 0.0 107.04 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -172.71 55.57 0.02 OUTLIER 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.02 150.67 37.29 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -112.68 -15.74 12.93 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 126.11 1.764 . . . . 0.0 107.384 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.93 108.12 20.16 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 127.179 2.192 . . . . 0.0 105.981 -176.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.72 109.99 0.23 Allowed Glycine 0 CA--C 1.488 -1.619 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 -165.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -114.13 -140.92 0.38 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.213 2.205 . . . . 0.0 106.597 -165.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 p -155.1 174.22 15.5 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 121.515 0.674 . . . . 0.0 110.441 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.3 ttm -94.97 -121.47 0.1 Allowed 'General case' 0 C--N 1.366 1.313 0 C-N-CA 127.432 2.293 . . . . 0.0 108.263 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.02 -41.06 16.15 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.741 1.617 . . . . 0.0 113.502 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -139.76 -12.3 1.14 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -166.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 pttt . . . . . 0 CA--C 1.492 -1.256 0 CA-C-N 121.485 1.948 . . . . 0.0 108.967 -166.229 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 . . . . . 0 CA--C 1.505 -0.783 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.65 149.03 35.01 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 -173.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.05 65.41 1.26 Allowed 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -163.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.257 1.478 0 C-N-CA 125.073 1.349 . . . . 0.0 112.468 -175.382 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -141.09 57.88 1.54 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 6' ' ' SER . 2.2 t -104.28 -167.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 127.391 2.276 . . . . 0.0 105.655 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.615 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.2 p -120.5 128.39 53.08 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.656 1.583 . . . . 0.0 107.537 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -141.0 152.27 44.78 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -125.7 -46.4 1.73 Allowed 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.404 1.882 . . . . 0.0 109.398 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 p -112.46 131.58 55.5 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.024 1.73 . . . . 0.0 108.131 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -40.05 -54.89 2.18 Favored 'General case' 0 C--N 1.369 1.43 0 N-CA-C 118.96 2.948 . . . . 0.0 118.96 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.81 -33.95 64.91 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 131.386 3.875 . . . . 0.0 115.965 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 C--N 1.371 1.501 0 C-N-CA 130.344 3.458 . . . . 0.0 118.403 178.292 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.9 m0 . . . . . 0 N--CA 1.466 0.347 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 p -89.93 1.16 56.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.816 2.046 . . . . 0.0 111.147 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -95.09 -33.97 5.17 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 C-N-CA 126.97 2.108 . . . . 0.0 109.451 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.74 -19.06 38.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.663 1.985 . . . . 0.0 113.527 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -89.57 -38.45 13.96 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.058 2.143 . . . . 0.0 111.185 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -89.87 -16.64 29.63 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.848 1.659 . . . . 0.0 112.928 -177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -90.2 -47.15 7.97 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 126.642 1.977 . . . . 0.0 111.253 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -118.28 -117.83 0.32 Allowed 'General case' 0 C--N 1.363 1.175 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -170.02 61.29 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -168.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -144.98 -163.92 1.81 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 103.075 -2.935 . . . . 0.0 103.075 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 p -144.93 3.67 1.08 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.262 0.937 . . . . 0.0 109.305 170.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.91 177.11 4.74 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.475 1.51 . . . . 0.0 107.21 -170.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.13 -178.45 35.28 Favored Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 105.954 -2.859 . . . . 0.0 105.954 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -145.01 -156.37 0.69 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 101.908 -3.368 . . . . 0.0 101.908 164.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 p -153.86 172.7 16.96 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 163.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.2 ttt -99.72 -121.47 0.15 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.552 1.541 . . . . 0.0 108.401 -172.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -84.91 -41.89 15.52 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.28 1.432 . . . . 0.0 112.403 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -144.76 -0.88 0.9 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.685 -165.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 CA--C 1.489 -1.38 0 CA-C-N 122.053 2.206 . . . . 0.0 109.087 -173.531 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 22.0 ttt180 . . . . . 0 CA--C 1.508 -0.663 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.01 142.59 29.91 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 -170.198 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -144.9 80.63 1.63 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.261 1.682 0 C-N-CA 126.055 1.742 . . . . 0.0 107.588 176.615 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.231 0.086 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -151.74 49.43 0.8 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.587 HG12 ' H ' ' A' ' 6' ' ' SER . 1.6 t -97.77 -171.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 125.781 1.632 . . . . 0.0 107.007 175.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.587 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.2 p -112.12 131.35 55.5 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.573 1.549 . . . . 0.0 108.37 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.9 t -136.72 155.56 49.7 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 121.832 0.825 . . . . 0.0 109.31 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -125.48 -52.65 1.6 Allowed 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.087 2.155 . . . . 0.0 108.585 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 p -109.22 144.71 36.97 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.101 1.76 . . . . 0.0 110.595 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 p -86.14 76.77 9.71 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.134 1.773 . . . . 0.0 109.99 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -174.38 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.837 2.455 . . . . 0.0 105.85 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.37 1.475 0 C-N-CA 129.503 3.121 . . . . 0.0 117.683 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 119.352 -0.356 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 p -89.95 -0.35 57.52 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.431 1.892 . . . . 0.0 111.772 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.5 t -96.74 -42.8 12.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 126.145 1.778 . . . . 0.0 108.503 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 m -75.5 -12.31 60.21 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.175 1.79 . . . . 0.0 115.78 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.13 -38.35 14.38 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.95 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -79.01 -25.48 43.29 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.092 1.357 . . . . 0.0 113.991 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.09 -73.16 0.53 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 126.678 1.991 . . . . 0.0 110.985 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.06 -23.53 17.3 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.687 1.595 . . . . 0.0 114.158 -165.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.485 16.0 p30 67.88 58.61 0.48 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 130.012 3.325 . . . . 0.0 114.056 -172.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 t -145.05 -177.04 5.34 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.3 p -145.03 32.2 1.12 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 111.02 15.52 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 173.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.6 132.68 1.52 Allowed Glycine 0 CA--C 1.489 -1.579 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -133.74 -178.61 5.09 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 p -127.83 172.15 11.12 Favored 'General case' 0 C--N 1.36 1.043 0 O-C-N 120.828 -1.17 . . . . 0.0 110.147 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.2 ttt -97.27 -121.96 0.13 Allowed 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -85.04 -42.64 14.66 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.375 1.47 . . . . 0.0 113.049 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -142.03 -4.11 1.06 Allowed 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -165.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 pttm . . . . . 0 CA--C 1.491 -1.32 0 CA-C-N 121.54 1.973 . . . . 0.0 108.537 -169.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 . . . . . 0 N--CA 1.441 -0.894 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.66 150.78 39.23 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -140.57 60.31 1.53 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -162.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.26 1.656 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 175.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -147.59 54.33 1.06 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -96.83 -170.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.318 0 C-N-CA 126.654 1.981 . . . . 0.0 107.02 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.545 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.5 p -111.09 131.79 54.79 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 125.418 1.487 . . . . 0.0 108.814 173.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 t -138.94 150.64 46.13 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 121.94 0.876 . . . . 0.0 108.685 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.69 -49.08 1.15 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 126.288 1.835 . . . . 0.0 107.315 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -103.18 129.04 49.97 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.817 2.047 . . . . 0.0 109.367 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 p -86.34 72.96 10.25 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 126.968 2.107 . . . . 0.0 111.348 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -175.79 -31.36 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.984 2.113 . . . . 0.0 107.351 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 C--N 1.37 1.497 0 C-N-CA 129.019 2.928 . . . . 0.0 116.422 177.919 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.3 m0 . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 p -90.05 -2.04 58.05 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 127.576 2.351 . . . . 0.0 111.542 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.18 -34.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 C-N-CA 126.9 2.08 . . . . 0.0 108.698 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 m -69.28 -22.74 63.79 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.981 2.112 . . . . 0.0 114.228 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -45.47 10.43 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.652 2.381 . . . . 0.0 112.714 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -25.42 36.56 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.665 1.986 . . . . 0.0 113.842 -176.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.53 -61.18 1.86 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.877 2.071 . . . . 0.0 109.541 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -115.6 0.16 Allowed 'General case' 0 C--N 1.363 1.194 0 C-N-CA 124.675 1.19 . . . . 0.0 107.87 170.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -177.74 58.57 0.01 OUTLIER 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 t -145.06 -178.35 6.0 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.2 m -129.96 -15.04 3.88 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 125.223 1.409 . . . . 0.0 108.341 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.82 112.53 24.25 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.859 1.664 . . . . 0.0 106.812 -169.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.85 133.96 1.57 Allowed Glycine 0 CA--C 1.482 -2.005 0 N-CA-C 107.235 -2.346 . . . . 0.0 107.235 -167.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -132.41 -139.62 0.2 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 104.603 -2.369 . . . . 0.0 104.603 -166.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 p -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.499 -1.019 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.8 ttt -95.31 -123.96 0.11 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.518 2.327 . . . . 0.0 107.496 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -85.33 -43.19 13.92 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.634 1.973 . . . . 0.0 113.242 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -140.98 -3.11 1.26 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.879 -1.058 . . . . 0.0 113.617 -163.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 CA--C 1.493 -1.241 0 CA-C-N 121.539 1.972 . . . . 0.0 109.436 -171.546 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 . . . . . 0 CA--C 1.501 -0.911 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -145.13 151.23 38.15 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.56 61.65 1.47 Allowed 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 -161.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.257 1.498 0 C-N-CA 125.728 1.611 . . . . 0.0 106.996 176.206 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.02 48.2 0.99 Allowed 'General case' 0 C--N 1.357 0.93 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.583 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.84 -171.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.42 0 C-N-CA 125.853 1.661 . . . . 0.0 107.543 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.583 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.8 p -108.5 134.83 50.73 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.367 1.467 . . . . 0.0 108.375 175.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -137.4 152.22 49.4 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.028 0.918 . . . . 0.0 109.066 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 p -130.19 -49.06 1.1 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.042 2.137 . . . . 0.0 107.471 172.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.1 p -106.35 138.92 41.66 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.46 1.904 . . . . 0.0 110.379 -172.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 p -88.75 83.69 6.7 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 125.482 1.513 . . . . 0.0 109.73 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -175.02 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.276 2.63 . . . . 0.0 105.183 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.37 1.485 0 C-N-CA 130.335 3.454 . . . . 0.0 116.674 174.611 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -89.93 4.81 48.89 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.37 1.868 . . . . 0.0 112.023 172.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.72 -28.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.22 0 C-N-CA 124.949 1.3 . . . . 0.0 109.999 173.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.2 m -84.47 -17.57 38.66 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.171 1.388 . . . . 0.0 112.275 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -90.08 -28.5 18.97 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.306 1.842 . . . . 0.0 111.899 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -89.56 -21.73 22.73 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.23 1.412 . . . . 0.0 113.542 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -89.89 -50.94 5.74 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 125.394 1.477 . . . . 0.0 109.729 171.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 -114.51 0.31 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -173.32 58.02 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -173.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -145.02 171.61 14.22 Favored 'General case' 0 C--N 1.361 1.074 0 O-C-N 121.268 -0.895 . . . . 0.0 108.999 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.0 p -145.09 37.97 1.16 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -167.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.2 116.48 12.64 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 102.911 -2.996 . . . . 0.0 102.911 165.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.51 132.27 1.46 Allowed Glycine 0 C--N 1.35 1.322 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -172.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 159.24 43.25 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 102.768 -3.049 . . . . 0.0 102.768 -171.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 p -108.47 172.77 6.65 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.643 1.177 . . . . 0.0 110.477 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ttt -97.1 -121.88 0.12 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.195 1.798 . . . . 0.0 108.274 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -85.28 -39.19 18.0 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.652 1.581 . . . . 0.0 114.208 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -136.51 -20.73 1.36 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -160.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.485 -1.536 0 CA-C-N 121.26 1.846 . . . . 0.0 107.36 -167.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 . . . . . 0 N--CA 1.443 -0.823 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.09 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -178.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -145.12 61.87 1.3 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 -165.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.258 1.528 0 C-N-CA 125.665 1.586 . . . . 0.0 109.38 -176.288 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -137.87 54.5 1.8 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 124.882 1.273 . . . . 0.0 108.28 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.608 HG12 ' H ' ' A' ' 6' ' ' SER . 2.0 t -102.29 -167.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 126.864 2.066 . . . . 0.0 106.158 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.608 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.9 p -116.56 132.17 56.75 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.476 1.51 . . . . 0.0 108.31 173.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -145.82 148.65 33.13 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.86 0.838 . . . . 0.0 109.175 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -129.01 -44.61 1.29 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 126.743 2.017 . . . . 0.0 108.362 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -109.73 140.02 44.11 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.004 1.722 . . . . 0.0 109.808 -175.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.9 t -86.84 77.92 9.16 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.798 2.039 . . . . 0.0 109.598 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -174.64 -43.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.109 2.164 . . . . 0.0 105.221 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.372 1.576 0 C-N-CA 131.012 3.725 . . . . 0.0 118.832 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 19.3 m0 . . . . . 0 CA--C 1.519 -0.236 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 p -89.88 -0.49 57.59 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.927 2.091 . . . . 0.0 111.142 172.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.2 t -95.34 -41.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 125.997 1.719 . . . . 0.0 109.243 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -82.76 -4.83 58.47 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 126.055 1.742 . . . . 0.0 113.946 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.147 2.179 . . . . 0.0 111.326 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -89.33 -12.08 41.54 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.192 1.797 . . . . 0.0 113.585 -173.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -90.07 -48.35 7.25 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.336 1.854 . . . . 0.0 110.191 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -109.83 -116.05 0.3 Allowed 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.4 1.48 . . . . 0.0 107.269 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -173.0 57.42 0.02 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -170.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -144.71 -156.95 0.74 Allowed 'General case' 0 C--N 1.359 0.995 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 175.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -145.1 -2.42 0.8 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-N 120.092 1.314 . . . . 0.0 110.751 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -117.77 -170.52 1.88 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.946 1.298 . . . . 0.0 108.621 -175.688 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.2 168.04 16.52 Favored Glycine 0 N--CA 1.433 -1.566 0 N-CA-C 103.475 -3.85 . . . . 0.0 103.475 -166.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -144.9 170.66 15.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 101.565 -3.494 . . . . 0.0 101.565 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.0 p -133.88 173.43 11.56 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -121.81 0.15 Allowed 'General case' 0 C--N 1.363 1.178 0 C-N-CA 126.184 1.794 . . . . 0.0 107.096 -171.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -85.46 -43.66 13.4 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 124.421 1.088 . . . . 0.0 112.747 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -144.95 3.99 1.09 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.76 -1.114 . . . . 0.0 113.931 -165.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 pttp . . . . . 0 CA--C 1.487 -1.456 0 CA-C-N 121.556 1.98 . . . . 0.0 110.122 -177.39 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.55 135.21 24.73 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -166.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -144.86 92.68 2.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 -168.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.26 1.645 0 N-CA-C 106.387 -1.708 . . . . 0.0 106.387 -178.77 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.444 HG21 HG12 ' A' ' 16' ' ' VAL . 7.2 p . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -142.22 52.27 1.47 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.542 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.41 -172.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.725 2.01 . . . . 0.0 107.001 172.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.542 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.0 p -113.25 132.12 55.65 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.126 1.37 . . . . 0.0 107.537 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.0 p -105.35 170.52 7.83 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.752 0.821 . . . . 0.0 110.8 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 p -132.85 -52.75 0.92 Allowed 'General case' 0 C--N 1.357 0.91 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 168.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -121.18 157.15 30.83 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.252 1.821 . . . . 0.0 108.015 -176.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.3 m -90.08 72.76 7.32 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.107 2.163 . . . . 0.0 109.784 165.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -163.29 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.15 2.58 . . . . 0.0 106.201 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--N 1.368 1.404 0 C-N-CA 130.318 3.447 . . . . 0.0 115.626 177.121 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 . . . . . 0 CA--C 1.515 -0.372 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.7 p -89.95 -3.3 58.1 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 126.32 1.848 . . . . 0.0 111.335 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.444 HG12 HG21 ' A' ' 3' ' ' THR . 5.0 t -96.89 -29.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 C-N-CA 125.755 1.622 . . . . 0.0 109.726 176.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.2 m -80.81 -17.77 49.7 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -89.76 -35.45 15.72 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.733 1.613 . . . . 0.0 111.45 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -19.93 46.3 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.245 1.818 . . . . 0.0 113.786 -176.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.06 -67.97 0.81 Allowed 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.6 2.36 . . . . 0.0 109.903 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -102.73 -114.83 0.21 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.401 1.88 . . . . 0.0 108.255 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -175.55 58.18 0.02 OUTLIER 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.99 176.93 9.13 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.3 m -127.85 -16.79 4.59 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 124.015 0.926 . . . . 0.0 108.851 -175.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 118.21 31.44 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -172.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.36 131.61 1.27 Allowed Glycine 0 CA--C 1.487 -1.714 0 N-CA-C 104.944 -3.262 . . . . 0.0 104.944 -166.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -129.09 -146.0 0.31 Allowed 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -152.94 174.88 13.57 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 -175.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -107.12 -128.82 0.27 Allowed 'General case' 0 C--N 1.36 1.063 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.92 -42.59 14.85 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.968 1.707 . . . . 0.0 113.058 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -142.32 4.45 1.59 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.62 1.168 . . . . 0.0 112.049 -166.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.9 pttt . . . . . 0 CA--C 1.491 -1.319 0 CA-C-N 121.034 1.743 . . . . 0.0 109.037 -173.103 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 . . . . . 0 CA--C 1.504 -0.789 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -145.06 137.88 26.3 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -135.97 73.06 1.45 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 -164.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.261 1.669 0 C-N-CA 125.27 1.428 . . . . 0.0 110.185 -177.874 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.89 53.3 0.92 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.332 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -99.57 -169.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.117 1.767 . . . . 0.0 106.836 173.089 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.589 ' H ' HG12 ' A' ' 5' ' ' VAL . 9.7 p -114.83 135.66 53.94 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.618 1.567 . . . . 0.0 108.45 174.07 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 t -144.66 148.54 34.39 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -130.41 -47.21 1.08 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 126.562 1.945 . . . . 0.0 107.3 175.06 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -104.59 129.37 52.7 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.49 1.916 . . . . 0.0 108.698 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -87.53 72.18 9.67 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.68 1.992 . . . . 0.0 111.116 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -172.74 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 126.48 1.912 . . . . 0.0 107.131 -178.653 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--N 1.373 1.591 0 C-N-CA 130.384 3.474 . . . . 0.0 116.791 172.151 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 p -90.03 0.5 57.08 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 126.792 2.037 . . . . 0.0 111.389 171.45 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.07 -38.18 8.58 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 C-N-CA 126.921 2.089 . . . . 0.0 108.917 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.3 m -79.61 -11.13 59.88 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.005 1.722 . . . . 0.0 114.305 171.627 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -89.55 -50.16 6.25 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.864 2.065 . . . . 0.0 112.161 -176.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -80.89 -18.74 46.23 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.61 1.964 . . . . 0.0 114.006 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -90.0 -43.14 10.73 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.23 1.812 . . . . 0.0 110.778 178.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -119.36 -115.38 0.32 Allowed 'General case' 0 C--N 1.363 1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -177.06 58.8 0.01 OUTLIER 'General case' 0 C--N 1.353 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 107.617 -175.701 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -145.03 178.68 7.87 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.1 m -122.16 -15.1 7.81 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 107.997 175.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.97 109.36 21.39 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.549 1.939 . . . . 0.0 106.881 -169.117 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.83 112.56 0.33 Allowed Glycine 0 CA--C 1.486 -1.767 0 N-CA-C 106.922 -2.471 . . . . 0.0 106.922 -172.085 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -114.03 -146.78 0.41 Allowed 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.034 2.134 . . . . 0.0 105.563 -170.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 p -155.01 176.39 12.6 Favored 'General case' 0 CA--C 1.495 -1.171 0 CA-C-O 121.428 0.632 . . . . 0.0 109.608 175.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 ttm -97.1 -124.06 0.13 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.697 1.999 . . . . 0.0 107.778 174.091 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.24 -41.13 15.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.204 1.401 . . . . 0.0 113.516 176.35 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -145.07 4.16 1.07 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -164.599 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttm . . . . . 0 CA--C 1.487 -1.449 0 CA-C-N 121.546 1.975 . . . . 0.0 109.282 179.199 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 140.8 28.48 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 175.557 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -124.21 -14.27 7.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.714 1.606 . . . . 0.0 108.77 -162.637 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . 0.287 60.5 p . . . . . 0 C--O 1.26 1.657 0 C-N-CA 129.86 3.264 . . . . 0.0 116.96 174.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -138.56 52.27 1.81 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.22 -169.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 127.009 2.124 . . . . 0.0 106.733 174.466 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.584 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.6 p -118.61 130.7 56.02 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 172.324 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 p -101.89 173.09 6.55 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.738 0.815 . . . . 0.0 111.103 -178.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 p -124.77 -56.77 1.57 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 171.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -131.07 159.62 37.06 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.767 1.627 . . . . 0.0 106.99 -178.306 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -90.04 57.8 3.92 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.907 2.483 . . . . 0.0 111.749 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -168.33 -33.33 0.02 OUTLIER 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.844 1.658 . . . . 0.0 109.248 -173.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.371 1.506 0 C-N-CA 128.103 2.561 . . . . 0.0 114.784 -179.413 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.8 m0 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 p -89.99 -2.62 58.18 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 126.978 2.111 . . . . 0.0 111.141 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.93 -24.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.407 2.283 . . . . 0.0 109.082 177.286 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -72.37 -29.57 63.9 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.673 1.589 . . . . 0.0 113.174 165.136 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -89.06 -36.36 15.81 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 127.303 2.241 . . . . 0.0 113.161 -169.54 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -83.86 -19.17 35.33 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.857 2.063 . . . . 0.0 113.327 -177.159 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.13 -61.91 1.58 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.901 2.481 . . . . 0.0 108.889 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -106.21 -112.74 0.27 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.903 1.681 . . . . 0.0 108.671 -177.44 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -175.72 57.8 0.01 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.298 1.439 . . . . 0.0 107.217 -173.626 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.76 44.02 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -172.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -126.21 -6.73 6.53 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 126.534 1.933 . . . . 0.0 107.814 178.122 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.05 112.87 24.53 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.614 1.965 . . . . 0.0 107.265 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.77 163.36 36.84 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 106.171 -2.771 . . . . 0.0 106.171 -169.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -144.98 -150.36 0.32 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.09 175.25 14.08 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 172.714 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 ttt -105.72 -130.2 0.28 Allowed 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -175.238 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -84.99 -37.91 19.88 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.572 1.549 . . . . 0.0 112.934 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -140.91 -3.05 1.27 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.101 -1.428 . . . . 0.0 113.084 -170.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt . . . . . 0 CA--C 1.487 -1.459 0 CA-C-N 122.379 2.354 . . . . 0.0 108.353 -171.763 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 . . . . . 0 CA--C 1.507 -0.702 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -145.11 140.17 27.84 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 -175.245 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -130.27 40.9 3.47 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 126.247 1.819 . . . . 0.0 106.167 -160.042 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.26 1.613 0 C-N-CA 126.138 1.775 . . . . 0.0 109.642 177.931 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.45 -0.473 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -141.91 56.16 1.48 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 -178.3 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 6' ' ' SER . 2.4 t -97.74 -168.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 127.348 2.259 . . . . 0.0 106.295 176.415 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.621 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -122.39 130.01 52.67 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 172.023 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.36 175.45 5.47 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 123.658 0.783 . . . . 0.0 110.594 -177.418 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -130.11 -55.36 1.11 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 164.048 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -122.9 151.95 41.26 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.465 1.506 . . . . 0.0 107.943 -177.668 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -89.9 71.68 7.54 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 127.739 2.416 . . . . 0.0 110.596 173.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -170.09 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 -176.276 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.369 1.432 0 C-N-CA 130.891 3.676 . . . . 0.0 115.927 177.14 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.3 m0 . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 p -90.04 8.3 33.26 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.383 2.273 . . . . 0.0 111.044 173.137 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.08 -43.04 12.86 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 126.725 2.01 . . . . 0.0 108.187 171.398 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 m -85.19 -5.68 59.32 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 124.602 1.161 . . . . 0.0 114.088 179.056 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -89.96 -37.5 14.31 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.743 2.017 . . . . 0.0 111.793 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.43 -12.48 43.03 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.897 2.079 . . . . 0.0 112.608 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.95 -65.66 1.0 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 128.301 2.641 . . . . 0.0 110.549 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -101.62 -112.57 0.2 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.801 2.04 . . . . 0.0 107.444 -174.181 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.98 57.98 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.98 173.22 12.06 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -179.072 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 p -144.98 23.61 1.52 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 178.386 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.39 123.72 48.26 Favored 'General case' 0 C--N 1.366 1.303 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 170.404 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.12 160.76 34.43 Favored Glycine 0 CA--C 1.482 -1.996 0 N-CA-C 104.14 -3.584 . . . . 0.0 104.14 -173.193 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 -170.2 3.36 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 176.888 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.1 155.64 34.39 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 101.848 -3.39 . . . . 0.0 101.848 174.357 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 ttp -99.45 -122.61 0.15 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 124.472 1.109 . . . . 0.0 108.618 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -85.09 -37.21 20.56 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.235 1.014 . . . . 0.0 113.537 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -136.81 -20.7 1.29 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.829 -166.228 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.0 pttt . . . . . 0 C--N 1.365 1.274 0 CA-C-N 121.139 1.79 . . . . 0.0 109.141 -168.774 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 15.6 ttm105 . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.564 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -144.76 143.81 30.86 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 102.985 -2.968 . . . . 0.0 102.985 -169.963 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -145.07 64.75 1.27 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -169.108 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.259 1.588 0 C-N-CA 125.505 1.522 . . . . 0.0 110.86 -180.0 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.32 49.05 1.84 Allowed 'General case' 0 C--N 1.359 1.009 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 175.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.1 t -102.93 159.92 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 C-N-CA 128.849 2.859 . . . . 0.0 104.318 173.374 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 p -95.18 139.96 30.77 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 124.994 1.317 . . . . 0.0 110.821 -179.387 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -144.65 151.15 38.54 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -176.421 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.39 -47.76 0.99 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.342 1.857 . . . . 0.0 107.099 174.169 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p -104.45 131.08 52.21 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.426 1.891 . . . . 0.0 109.267 -177.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -88.66 74.21 8.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 127.258 2.223 . . . . 0.0 110.3 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -173.44 -43.29 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -169.189 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--N 1.371 1.509 0 C-N-CA 129.323 3.049 . . . . 0.0 116.016 -178.674 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.1 m0 . . . . . 0 CA--C 1.523 -0.061 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -90.03 13.8 13.91 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 111.623 170.172 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.55 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 126.332 1.853 . . . . 0.0 109.176 172.681 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.82 -16.08 58.59 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 120.051 1.296 . . . . 0.0 114.3 172.087 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -90.04 -34.99 15.74 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.855 2.062 . . . . 0.0 112.572 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.81 -16.39 30.28 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 126.229 1.812 . . . . 0.0 113.344 -176.717 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.93 -61.97 1.57 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.07 2.148 . . . . 0.0 109.049 176.497 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -100.68 -114.54 0.18 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 125.838 1.655 . . . . 0.0 108.076 -178.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.73 61.27 0.01 OUTLIER 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -175.851 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -145.0 -167.21 2.61 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.2 p -135.42 -13.92 2.0 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 123.818 0.847 . . . . 0.0 109.779 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.01 115.52 27.53 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 124.859 1.264 . . . . 0.0 107.669 -172.223 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.44 107.17 0.24 Allowed Glycine 0 CA--C 1.483 -1.91 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -171.69 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -107.97 -149.47 0.43 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.328 1.851 . . . . 0.0 106.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -155.02 174.75 14.73 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.063 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -119.32 0.1 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.753 1.621 . . . . 0.0 108.726 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -85.01 -41.24 16.0 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.934 1.294 . . . . 0.0 113.529 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -140.12 -11.58 1.1 Allowed 'General case' 0 C--N 1.356 0.887 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -163.159 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? . . . . . 0 C--N 1.366 1.283 0 CA-C-N 121.765 2.075 . . . . 0.0 109.838 -174.175 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 . . . . . 0 N--CA 1.44 -0.961 0 N-CA-C 104.938 -2.245 . . . . 0.0 104.938 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.99 140.68 28.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 -177.704 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -131.11 34.22 4.06 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.914 2.086 . . . . 0.0 106.291 -162.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.26 1.622 0 C-N-CA 127.233 2.213 . . . . 0.0 111.643 -178.324 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -135.83 49.97 2.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.7 t -103.93 155.42 5.73 Favored 'Isoleucine or valine' 0 C--N 1.363 1.156 0 C-N-CA 128.413 2.685 . . . . 0.0 104.289 171.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -95.11 137.9 33.54 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.179 1.392 . . . . 0.0 110.163 -179.253 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -141.49 147.79 38.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 122.374 1.083 . . . . 0.0 108.776 -176.128 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 p -132.33 -45.91 0.91 Allowed 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.091 2.156 . . . . 0.0 107.348 175.078 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 p -105.22 132.72 51.07 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.526 1.93 . . . . 0.0 108.708 -177.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 p -89.85 72.98 7.53 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 126.499 1.92 . . . . 0.0 111.203 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -173.51 -35.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 105.994 -178.261 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 C--N 1.371 1.508 1 C-N-CA 131.709 4.004 . . . . 0.0 117.963 172.29 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.8 m0 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 p -90.0 6.92 40.14 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 127.663 2.385 . . . . 0.0 111.731 169.321 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.4 -36.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.074 1.749 . . . . 0.0 109.132 173.119 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 m -81.57 -7.67 59.62 Favored 'General case' 0 C--N 1.372 1.56 0 C-N-CA 125.949 1.699 . . . . 0.0 113.501 173.83 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -89.87 -35.53 15.58 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.149 2.18 . . . . 0.0 111.303 174.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -89.61 -24.46 21.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.565 1.946 . . . . 0.0 113.505 -177.07 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -90.14 -43.69 10.28 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.963 1.705 . . . . 0.0 110.406 178.708 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -115.09 -119.04 0.31 Allowed 'General case' 0 C--N 1.362 1.132 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -175.21 62.42 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -177.013 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -144.7 -170.58 3.43 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 p -128.64 -35.97 1.88 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 128.02 41.33 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.996 1.718 . . . . 0.0 108.038 -172.326 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.53 100.71 0.14 Allowed Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 105.88 -2.888 . . . . 0.0 105.88 -168.077 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -106.95 -143.35 0.38 Allowed 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.762 2.425 . . . . 0.0 107.996 -167.072 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 p -155.16 175.14 14.23 Favored 'General case' 0 CA--C 1.495 -1.155 0 C-N-CA 123.696 0.798 . . . . 0.0 108.93 176.074 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -98.42 -118.75 0.14 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.4 1.88 . . . . 0.0 107.661 171.054 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.1 p30 -88.34 -33.64 17.9 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 125.057 1.343 . . . . 0.0 114.429 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -131.56 -35.11 1.32 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -164.144 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttm . . . . . 0 CA--C 1.494 -1.179 0 CA-C-N 120.548 1.522 . . . . 0.0 109.034 -166.368 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 142.08 29.53 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 -178.76 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -144.79 61.69 1.32 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 -163.167 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 p . . . . . 0 C--O 1.259 1.596 0 C-N-CA 125.265 1.426 . . . . 0.0 110.949 -178.328 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -145.36 52.95 1.19 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.403 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.16 -172.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.406 0 C-N-CA 125.776 1.631 . . . . 0.0 107.129 170.199 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.582 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.4 p -111.91 132.51 54.69 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.582 1.553 . . . . 0.0 108.062 174.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -137.97 153.47 49.44 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 121.933 0.873 . . . . 0.0 109.815 -177.272 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.1 p -125.81 -47.42 1.67 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.253 2.221 . . . . 0.0 108.752 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 p -112.22 141.23 46.17 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 125.759 1.624 . . . . 0.0 110.765 -170.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 p -86.93 74.34 9.76 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.639 1.976 . . . . 0.0 110.907 177.596 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -173.94 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.355 0.848 0 C-N-CA 127.423 2.289 . . . . 0.0 105.445 -173.672 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.369 1.431 0 C-N-CA 130.154 3.382 . . . . 0.0 117.567 177.639 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -90.03 -7.09 54.75 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.095 2.158 . . . . 0.0 111.692 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.99 -35.37 6.02 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 C-N-CA 125.469 1.508 . . . . 0.0 109.536 -176.366 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -82.4 -11.48 58.52 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.03 1.332 . . . . 0.0 113.815 175.36 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -87.95 -40.57 13.81 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 125.351 1.46 . . . . 0.0 110.947 173.651 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.59 58.99 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.349 1.86 . . . . 0.0 113.82 -176.276 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.02 -42.09 11.34 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.965 2.106 . . . . 0.0 111.416 -178.293 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -118.88 -119.08 0.31 Allowed 'General case' 0 C--N 1.363 1.18 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -178.148 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.92 56.35 0.02 OUTLIER 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.715 1.606 . . . . 0.0 106.706 -177.388 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 t -145.05 -179.99 6.98 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 p -128.75 -11.47 4.9 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.897 0.879 . . . . 0.0 108.69 -178.463 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.88 117.46 30.17 Favored 'General case' 0 C--N 1.367 1.352 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -173.054 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.11 124.87 0.76 Allowed Glycine 0 CA--C 1.486 -1.763 0 N-CA-C 106.339 -2.704 . . . . 0.0 106.339 -170.642 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -127.86 -149.5 0.41 Allowed 'General case' 0 C--N 1.358 0.968 0 N-CA-C 104.399 -2.445 . . . . 0.0 104.399 -170.249 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 p -155.09 175.81 13.35 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ttp -98.61 -128.26 0.18 Allowed 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.91 2.084 . . . . 0.0 107.213 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 -36.55 20.13 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.68 1.192 . . . . 0.0 114.008 175.186 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -140.46 -3.74 1.31 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-O 117.384 -1.293 . . . . 0.0 113.989 -166.069 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 CA--C 1.492 -1.279 0 CA-C-N 122.02 2.191 . . . . 0.0 110.045 -174.385 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 . . . . . 0 CA--C 1.508 -0.659 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 t -145.03 141.59 29.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -140.67 69.59 1.35 Allowed 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -165.097 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.258 1.547 0 C-N-CA 125.254 1.422 . . . . 0.0 111.06 -175.612 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -146.69 52.56 1.1 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 6' ' ' SER . 1.2 t -93.33 -173.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.313 1.845 . . . . 0.0 107.461 170.707 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.528 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.8 p -114.96 130.48 56.93 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.07 1.348 . . . . 0.0 107.658 173.246 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.59 173.17 6.46 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 123.637 0.775 . . . . 0.0 111.768 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 p -123.25 -57.79 1.66 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 169.113 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 p -132.85 159.01 41.06 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 126.009 1.724 . . . . 0.0 107.251 -176.661 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 m -90.04 62.39 5.55 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.847 2.459 . . . . 0.0 111.181 175.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -165.45 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.267 1.827 . . . . 0.0 107.58 -178.899 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.37 1.498 0 C-N-CA 129.629 3.172 . . . . 0.0 115.493 177.316 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 m0 . . . . . 0 N--CA 1.458 -0.06 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.0 p -89.87 4.56 49.52 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.016 2.126 . . . . 0.0 111.863 171.126 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -94.9 -26.62 4.35 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 126.788 2.035 . . . . 0.0 108.696 173.029 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 m -69.3 -24.52 63.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.277 1.831 . . . . 0.0 114.833 165.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -89.96 -37.53 14.29 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.199 1.8 . . . . 0.0 112.306 -178.219 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.01 -23.16 36.13 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.641 1.976 . . . . 0.0 113.376 -174.415 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.98 -63.69 1.24 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.11 2.164 . . . . 0.0 109.714 175.138 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -101.84 -115.1 0.19 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.687 1.595 . . . . 0.0 108.192 -178.612 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.86 60.95 0.01 OUTLIER 'General case' 0 C--N 1.353 0.753 0 C-N-CA 125.571 1.548 . . . . 0.0 107.297 -177.31 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -145.02 -179.06 6.37 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 179.083 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 p -138.96 -13.63 1.21 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.433 0.693 . . . . 0.0 110.393 -172.678 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.03 123.79 38.71 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 176.437 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.78 158.66 22.29 Favored Glycine 0 CA--C 1.489 -1.57 0 N-CA-C 103.957 -3.657 . . . . 0.0 103.957 -166.396 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -144.96 -154.42 0.54 Allowed 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.08 177.7 11.03 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 174.253 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.0 ttm -107.63 -132.02 0.31 Allowed 'General case' 0 C--N 1.361 1.082 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -85.06 -35.68 21.69 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.337 1.455 . . . . 0.0 113.2 176.559 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.62 1.15 1.7 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.548 -1.215 . . . . 0.0 112.838 -170.648 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 pttt . . . . . 0 C--N 1.368 1.374 0 CA-C-N 121.897 2.135 . . . . 0.0 109.444 -173.09 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 . . . . . 0 CA--C 1.503 -0.851 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 t -145.03 143.72 30.63 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 -176.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -135.86 83.55 2.02 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -161.612 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.261 1.685 0 C-N-CA 125.744 1.618 . . . . 0.0 107.856 165.344 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -148.29 49.99 1.03 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 178.145 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -94.35 -176.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 125.582 1.553 . . . . 0.0 107.149 170.633 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.464 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.9 p -108.08 134.68 50.61 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.894 1.278 . . . . 0.0 107.86 172.794 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -104.15 170.84 7.67 Favored 'General case' 0 C--N 1.363 1.185 0 CA-C-O 121.421 0.629 . . . . 0.0 110.695 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 p -128.66 -51.38 1.25 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 167.844 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.7 p -126.05 156.86 39.28 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.932 1.693 . . . . 0.0 107.666 -176.403 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.2 m -90.0 79.88 6.48 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.108 2.163 . . . . 0.0 108.123 165.342 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -173.93 -42.49 0.01 OUTLIER 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.726 -2.324 . . . . 0.0 104.726 -167.747 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 . . . . . 0 C--N 1.367 1.354 0 C-N-CA 131.037 3.735 . . . . 0.0 116.135 177.711 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 p -90.02 -4.22 57.53 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.929 1.691 . . . . 0.0 111.339 175.604 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 t -96.64 -28.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 C-N-CA 125.701 1.6 . . . . 0.0 109.913 178.715 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -85.91 -16.25 39.1 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.208 1.003 . . . . 0.0 112.938 176.683 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -90.05 -32.98 16.5 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 125.67 1.588 . . . . 0.0 111.66 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.23 42.73 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.856 1.662 . . . . 0.0 113.276 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -90.14 -50.33 6.06 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 126.535 1.934 . . . . 0.0 110.588 178.451 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -118.97 -116.31 0.32 Allowed 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 -177.228 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -175.84 59.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -176.416 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -145.07 175.32 10.33 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 p -144.89 32.62 1.13 Allowed 'General case' 0 C--N 1.352 0.676 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -174.82 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.27 112.42 18.6 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 101.78 -3.415 . . . . 0.0 101.78 175.022 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.15 134.76 2.38 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 106.838 -2.505 . . . . 0.0 106.838 -170.57 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -145.09 161.57 39.12 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 102.745 -3.057 . . . . 0.0 102.745 -175.508 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -118.78 173.14 7.05 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -174.641 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.3 ttt -106.73 -131.62 0.3 Allowed 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -85.06 -36.52 21.15 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.002 1.721 . . . . 0.0 113.486 175.47 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -135.43 -12.81 2.07 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.396 -1.288 . . . . 0.0 113.416 -168.39 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 CA--C 1.489 -1.378 0 CA-C-N 121.489 1.95 . . . . 0.0 108.943 -168.185 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.85 155.84 43.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 -178.509 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -145.08 65.55 1.26 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -166.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.261 1.705 0 C-N-CA 124.978 1.311 . . . . 0.0 110.699 178.05 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.51 52.3 0.59 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.068 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.75 -168.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.312 1.845 . . . . 0.0 107.243 176.767 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.551 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.1 p -113.49 133.65 55.11 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.54 1.536 . . . . 0.0 108.761 173.679 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -141.67 150.52 42.01 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.61 -48.44 1.16 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.765 2.026 . . . . 0.0 107.421 173.414 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -107.31 136.71 46.66 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.276 1.83 . . . . 0.0 109.709 -175.724 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 p -89.9 72.38 7.51 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.893 2.077 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -173.79 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.046 2.138 . . . . 0.0 106.899 -173.494 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.372 1.568 0 C-N-CA 129.865 3.266 . . . . 0.0 116.088 177.724 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.1 m0 . . . . . 0 C--O 1.23 0.063 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.8 p -90.1 -0.13 57.44 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 127.214 2.206 . . . . 0.0 111.768 170.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.95 -32.76 4.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.253 0 C-N-CA 127.28 2.232 . . . . 0.0 109.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -82.07 -13.06 57.86 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 125.967 1.707 . . . . 0.0 112.953 171.022 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -89.87 -33.26 16.53 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.265 2.226 . . . . 0.0 111.706 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -24.42 24.87 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.719 2.008 . . . . 0.0 112.998 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.4 tp -90.05 -47.21 7.98 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.074 1.349 . . . . 0.0 110.728 177.884 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -115.94 -119.08 0.31 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -176.339 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.88 58.15 0.03 OUTLIER 'General case' 0 C--N 1.35 0.61 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.67 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -144.93 -172.94 3.95 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 p -135.98 -26.42 1.18 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 124.16 0.984 . . . . 0.0 108.734 178.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 123.56 38.4 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -173.848 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.83 107.52 0.21 Allowed Glycine 0 CA--C 1.489 -1.569 0 N-CA-C 105.341 -3.104 . . . . 0.0 105.341 -163.135 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.13 -140.53 0.38 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.616 2.366 . . . . 0.0 106.636 -166.237 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 p -155.13 175.32 13.99 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 121.429 0.633 . . . . 0.0 110.208 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.55 -122.52 0.13 Allowed 'General case' 0 C--N 1.366 1.323 0 C-N-CA 127.044 2.138 . . . . 0.0 107.682 173.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -85.14 -41.21 15.9 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.705 1.602 . . . . 0.0 113.57 179.027 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -139.58 -9.64 1.23 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -166.008 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 pttm . . . . . 0 CA--C 1.491 -1.317 0 CA-C-N 121.728 2.058 . . . . 0.0 109.109 -171.072 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 . . . . . 0 CA--C 1.505 -0.781 0 N-CA-C 105.11 -2.181 . . . . 0.0 105.11 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.7 138.74 27.48 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 -178.423 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -140.42 68.77 1.35 Allowed 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -161.741 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--O 1.262 1.75 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 174.542 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -149.16 54.02 0.97 Allowed 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 6' ' ' SER . 1.2 t -99.06 -172.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.371 0 C-N-CA 126.125 1.77 . . . . 0.0 106.69 174.515 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.524 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.0 p -110.87 131.84 54.71 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.173 1.389 . . . . 0.0 108.361 173.734 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -141.37 149.2 40.81 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 122.075 0.941 . . . . 0.0 108.787 -179.775 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 p -131.48 -47.23 0.98 Allowed 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.465 1.906 . . . . 0.0 107.639 173.756 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -104.32 130.56 52.15 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 126.706 2.002 . . . . 0.0 109.167 -177.599 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.4 p -88.0 75.85 8.69 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.729 2.012 . . . . 0.0 110.409 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -173.06 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.025 2.13 . . . . 0.0 105.521 -178.347 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.373 1.6 0 C-N-CA 129.731 3.212 . . . . 0.0 116.803 178.37 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 m0 . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 p -89.9 6.35 42.35 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.357 2.263 . . . . 0.0 111.407 171.74 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.66 -40.88 11.39 Favored 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 127.492 2.317 . . . . 0.0 107.732 173.14 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 m -59.6 -26.78 65.73 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.553 2.341 . . . . 0.0 116.047 169.584 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -89.71 -34.43 16.23 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.854 1.662 . . . . 0.0 112.961 177.61 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -29.46 53.04 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.459 2.303 . . . . 0.0 113.833 -177.531 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.94 -63.07 1.33 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.719 2.408 . . . . 0.0 109.151 178.343 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -104.05 -114.36 0.23 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.467 1.507 . . . . 0.0 108.359 -178.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 179.56 60.3 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.263 1.425 . . . . 0.0 108.285 -176.666 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -144.94 177.88 8.43 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 177.654 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.2 m -141.72 17.29 2.16 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -173.445 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -106.71 119.95 40.69 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 171.043 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.06 134.6 3.38 Favored Glycine 0 CA--C 1.489 -1.563 0 N-CA-C 105.693 -2.963 . . . . 0.0 105.693 -170.659 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -145.07 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 102.517 -3.142 . . . . 0.0 102.517 174.232 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -124.89 172.57 9.26 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 108.151 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -122.72 0.14 Allowed 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.65 1.58 . . . . 0.0 108.22 -176.237 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -85.34 -39.22 17.9 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.815 1.646 . . . . 0.0 113.366 179.127 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -139.12 -15.91 1.1 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.363 -1.303 . . . . 0.0 114.047 -162.878 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 CA--C 1.492 -1.277 0 CA-C-N 121.561 1.982 . . . . 0.0 109.474 -166.107 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -139.09 155.4 47.94 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 103.159 -2.904 . . . . 0.0 103.159 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -142.98 67.84 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -160.862 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.26 1.607 0 C-N-CA 124.946 1.299 . . . . 0.0 111.455 178.216 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.082 0 CA-C-O 121.515 0.674 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -127.65 161.01 29.88 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.081 1.752 . . . . 0.0 106.435 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 p -111.38 157.11 20.61 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.076 2.15 . . . . 0.0 106.456 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -141.02 53.9 1.57 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.8 -170.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.14 2.176 . . . . 0.0 106.581 174.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.575 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.9 p -114.46 131.69 56.52 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.498 1.519 . . . . 0.0 108.343 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -139.75 150.34 44.67 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 121.989 0.899 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -127.25 -49.79 1.43 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.958 2.103 . . . . 0.0 108.021 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 p -108.46 133.76 52.17 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.124 1.77 . . . . 0.0 109.033 -176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 p -87.48 74.21 9.37 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.171 1.788 . . . . 0.0 111.231 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -172.54 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.207 2.203 . . . . 0.0 105.99 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -50.17 -45.86 53.77 Favored 'General case' 0 C--N 1.372 1.573 0 C-N-CA 131.096 3.758 . . . . 0.0 117.999 174.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -89.49 -17.77 28.0 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 127.199 2.2 . . . . 0.0 112.693 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 p -90.21 -0.2 57.5 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 127.384 2.274 . . . . 0.0 110.751 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.04 -37.08 7.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.394 0 C-N-CA 126.857 2.063 . . . . 0.0 108.387 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.13 -21.76 64.91 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 127.605 2.362 . . . . 0.0 114.57 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -50.08 6.9 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.769 2.428 . . . . 0.0 111.949 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.17 -24.74 60.6 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.549 2.74 . . . . 0.0 115.241 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -54.47 4.04 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.255 2.222 . . . . 0.0 110.47 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.06 -112.18 0.27 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.824 1.65 . . . . 0.0 107.041 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.88 60.52 0.01 OUTLIER 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.491 1.516 . . . . 0.0 107.189 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -144.87 179.67 7.18 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -144.98 20.07 1.61 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -176.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.04 121.44 44.98 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.55 139.48 5.39 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 104.923 -3.271 . . . . 0.0 104.923 -170.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -145.02 159.43 42.96 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 101.406 -3.553 . . . . 0.0 101.406 173.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.7 p -122.76 170.68 9.82 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 ttt -99.03 -122.1 0.14 Allowed 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.458 1.503 . . . . 0.0 108.819 -168.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -86.13 -41.55 14.63 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.978 1.711 . . . . 0.0 112.695 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -144.72 -1.06 0.9 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 117.308 -1.329 . . . . 0.0 113.283 -168.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -144.46 154.07 42.55 Favored 'General case' 0 CA--C 1.49 -1.352 0 CA-C-N 122.313 2.324 . . . . 0.0 109.891 -169.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -136.82 173.12 12.05 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.49 149.14 35.46 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.13 -2.545 . . . . 0.0 104.13 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -143.99 62.84 1.35 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 -162.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.26 1.618 0 C-N-CA 124.492 1.117 . . . . 0.0 108.47 177.26 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.877 0 CA-C-O 120.849 0.357 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -130.15 162.39 28.97 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.612 1.965 . . . . 0.0 106.002 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -98.92 144.92 27.56 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 127.359 2.264 . . . . 0.0 107.853 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -128.07 49.88 2.12 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.63 158.18 3.76 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 129.032 2.933 . . . . 0.0 104.314 172.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -95.2 135.29 36.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.9 1.28 . . . . 0.0 109.713 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -134.75 147.72 50.08 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 122.299 1.047 . . . . 0.0 109.096 -172.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -128.32 -46.03 1.35 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.311 2.245 . . . . 0.0 107.871 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 p -107.89 139.65 42.18 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 125.586 1.554 . . . . 0.0 110.591 -171.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 p -89.91 85.21 6.3 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.031 1.733 . . . . 0.0 108.734 170.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -177.36 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.353 0.756 0 N-CA-C 103.53 -2.767 . . . . 0.0 103.53 -169.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.03 -34.88 77.03 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 131.264 3.826 . . . . 0.0 117.104 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -82.24 -28.16 32.05 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.368 2.667 . . . . 0.0 112.619 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 p -89.79 -8.47 52.05 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.476 1.911 . . . . 0.0 111.31 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 t -98.64 -25.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 125.346 1.458 . . . . 0.0 109.655 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 m -84.19 -19.84 33.37 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 124.56 1.144 . . . . 0.0 112.432 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -89.92 -35.21 15.72 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.052 2.141 . . . . 0.0 112.677 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -85.8 -20.19 29.57 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.525 1.93 . . . . 0.0 113.291 -177.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.9 -63.16 1.32 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.224 2.21 . . . . 0.0 109.261 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -101.83 -114.09 0.2 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 125.736 1.615 . . . . 0.0 107.808 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.7 59.38 0.01 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -145.07 174.45 11.04 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.1 p -145.14 36.18 1.11 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.01 117.51 10.84 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 173.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.83 129.47 1.07 Allowed Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 106.556 -2.617 . . . . 0.0 106.556 -172.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -125.83 -145.61 0.33 Allowed 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -154.53 174.23 15.21 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.21 -121.92 0.13 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.72 2.008 . . . . 0.0 108.141 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -85.37 -42.15 14.82 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.31 1.444 . . . . 0.0 112.95 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mmmp? -144.82 -2.36 0.83 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.48 -1.248 . . . . 0.0 114.024 -166.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -144.9 150.73 37.54 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 121.912 2.142 . . . . 0.0 108.776 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -138.3 174.14 10.86 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.91 138.2 26.76 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -136.3 69.91 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 -161.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.26 1.617 0 C-N-CA 125.182 1.393 . . . . 0.0 109.978 179.798 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.165 0 CA-C-O 121.612 0.72 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -144.01 133.62 23.58 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -122.29 163.44 19.67 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -144.82 54.7 1.24 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.21 -171.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 126.729 2.011 . . . . 0.0 106.546 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.521 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.8 p -109.97 132.67 53.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.156 1.383 . . . . 0.0 108.17 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -135.36 149.99 49.83 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 122.262 1.03 . . . . 0.0 109.726 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -127.64 -47.39 1.41 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.373 2.269 . . . . 0.0 107.601 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 p -109.3 132.35 54.2 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.813 2.045 . . . . 0.0 110.06 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -89.89 80.33 6.48 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 126.28 1.832 . . . . 0.0 109.885 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -175.61 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.032 2.533 . . . . 0.0 104.71 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.47 -24.38 67.8 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.929 3.291 . . . . 0.0 115.361 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -84.69 -23.43 29.4 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.861 2.064 . . . . 0.0 111.771 -175.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.96 -6.0 56.13 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.458 2.303 . . . . 0.0 111.389 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.9 t -97.79 -34.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 125.942 1.697 . . . . 0.0 109.621 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 m -73.46 -18.78 61.09 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 126.576 1.95 . . . . 0.0 114.436 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -47.76 7.94 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.318 2.247 . . . . 0.0 111.054 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.82 3.248 . . . . 0.0 115.922 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.34 -66.25 0.94 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 126.309 1.844 . . . . 0.0 110.254 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -103.05 -110.6 0.24 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.085 1.754 . . . . 0.0 108.127 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -178.85 63.92 0.01 OUTLIER 'General case' 0 C--N 1.353 0.724 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -145.02 -175.56 4.74 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -128.35 -20.28 3.72 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.308 1.443 . . . . 0.0 107.77 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -94.97 122.81 38.01 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 -167.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.89 1.99 Allowed Glycine 0 CA--C 1.488 -1.648 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 -166.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -145.01 158.13 43.91 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 -174.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 p -118.35 169.74 9.49 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 124.295 1.038 . . . . 0.0 108.91 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -100.07 -119.68 0.15 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 125.468 1.507 . . . . 0.0 108.168 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -85.0 -39.51 17.97 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.713 1.205 . . . . 0.0 114.189 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -138.34 -19.42 1.1 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -162.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -141.25 152.39 44.5 Favored 'General case' 0 CA--C 1.491 -1.304 0 CA-C-N 121.479 1.945 . . . . 0.0 108.854 -167.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -135.52 174.05 11.04 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.89 150.47 37.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -144.37 75.11 1.45 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.26 1.642 0 C-N-CA 124.887 1.275 . . . . 0.0 108.975 176.786 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.151 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -125.12 164.34 20.44 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.137 1.775 . . . . 0.0 106.992 -172.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 p -125.82 168.76 13.38 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -150.4 55.43 0.92 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -102.85 -167.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.23 0 C-N-CA 126.251 1.82 . . . . 0.0 106.278 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.568 ' H ' HG12 ' A' ' 5' ' ' VAL . 9.2 p -114.03 134.76 54.64 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.326 1.451 . . . . 0.0 108.593 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.66 150.74 42.31 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-O 121.822 0.82 . . . . 0.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.94 -48.34 1.13 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.544 1.938 . . . . 0.0 107.637 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 p -107.83 133.9 51.54 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.366 1.866 . . . . 0.0 109.332 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -89.38 72.04 8.06 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.505 1.922 . . . . 0.0 110.712 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -168.21 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.355 0.825 0 C-N-CA 127.789 2.436 . . . . 0.0 106.838 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.92 -41.65 99.53 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 129.245 3.018 . . . . 0.0 115.948 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -90.06 -19.2 24.64 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.049 2.139 . . . . 0.0 112.841 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 p -90.05 -0.56 57.65 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.091 2.156 . . . . 0.0 111.129 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -95.12 -33.24 4.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 127.577 2.351 . . . . 0.0 109.176 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 m -80.86 -14.67 57.81 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.896 1.678 . . . . 0.0 113.132 170.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -87.88 -55.08 3.92 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 127.027 2.131 . . . . 0.0 112.005 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -79.13 -14.06 59.35 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 126.702 2.001 . . . . 0.0 114.587 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.3 tp -89.97 -48.35 7.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.096 1.758 . . . . 0.0 110.606 174.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.78 -115.16 0.33 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -173.98 58.32 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -145.06 -178.96 6.31 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -129.28 -15.36 4.14 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.297 1.439 . . . . 0.0 107.641 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.99 123.31 38.39 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 125.938 1.695 . . . . 0.0 107.429 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.15 146.86 5.63 Favored Glycine 0 CA--C 1.486 -1.738 0 N-CA-C 104.588 -3.405 . . . . 0.0 104.588 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -135.79 -151.34 0.41 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -155.05 175.24 14.08 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 168.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.94 -123.27 0.15 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.303 1.841 . . . . 0.0 107.175 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -84.86 -41.29 16.17 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.753 1.621 . . . . 0.0 113.579 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -144.97 -1.56 0.85 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.506 -1.235 . . . . 0.0 113.636 -164.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -144.98 152.69 40.57 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 121.58 1.991 . . . . 0.0 109.306 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -135.85 170.41 16.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.99 139.43 27.48 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -142.41 68.13 1.32 Allowed 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 -163.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.259 1.571 0 C-N-CA 124.858 1.263 . . . . 0.0 108.219 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.335 0 CA-C-O 120.96 0.41 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -118.58 163.77 16.3 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 126.766 2.026 . . . . 0.0 105.851 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.58 173.26 6.4 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.445 1.098 . . . . 0.0 108.679 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.17 45.48 2.61 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.415 1.486 . . . . 0.0 107.369 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.9 t -102.91 157.33 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 C-N-CA 128.681 2.793 . . . . 0.0 104.278 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -94.87 139.37 31.4 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 125.063 1.345 . . . . 0.0 110.889 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 t -144.62 148.48 34.37 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 122.078 0.942 . . . . 0.0 108.47 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -128.59 -45.12 1.34 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.173 2.189 . . . . 0.0 107.995 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 p -111.29 139.51 46.62 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 125.923 1.689 . . . . 0.0 109.675 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 t -89.93 80.79 6.37 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.749 2.02 . . . . 0.0 109.18 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -177.25 -39.25 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.584 2.354 . . . . 0.0 104.85 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -53.37 -46.1 69.47 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 131.105 3.762 . . . . 0.0 117.739 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -89.93 -17.63 27.6 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 126.432 1.893 . . . . 0.0 112.199 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 p -90.12 0.66 57.04 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.273 2.229 . . . . 0.0 111.826 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -95.05 -28.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 126.354 1.862 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.9 m -85.67 -9.1 57.72 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 124.85 1.26 . . . . 0.0 112.54 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -89.83 -34.93 15.95 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.476 2.31 . . . . 0.0 111.403 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -84.99 -26.79 26.89 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 127.31 2.244 . . . . 0.0 112.818 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.9 tp -89.91 -45.47 9.21 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.646 1.578 . . . . 0.0 110.614 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -116.6 -118.12 0.32 Allowed 'General case' 0 C--N 1.363 1.153 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -173.86 59.34 0.02 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.88 -170.71 3.47 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 105.823 -1.918 . . . . 0.0 105.823 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -132.84 -32.13 1.27 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 124.935 1.294 . . . . 0.0 108.471 -172.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 124.27 38.83 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.702 1.601 . . . . 0.0 107.701 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.49 104.63 0.18 Allowed Glycine 0 CA--C 1.49 -1.482 0 N-CA-C 105.811 -2.916 . . . . 0.0 105.811 -166.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -108.72 -147.83 0.42 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.06 2.944 . . . . 0.0 106.48 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -154.94 175.15 14.16 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.816 0.817 . . . . 0.0 110.173 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 -124.74 0.11 Allowed 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.824 2.45 . . . . 0.0 106.746 171.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -86.69 -38.14 17.28 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.368 1.467 . . . . 0.0 114.011 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mmmp? -142.19 -7.28 0.92 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.021 -1.466 . . . . 0.0 114.338 -162.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -142.3 151.79 42.34 Favored 'General case' 0 CA--C 1.491 -1.316 0 CA-C-N 122.38 2.355 . . . . 0.0 109.423 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -122.28 -171.42 2.26 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.95 141.94 29.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -144.41 64.94 1.29 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -162.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.615 0 C-N-CA 125.075 1.35 . . . . 0.0 108.226 -177.842 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.256 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -99.21 162.85 12.82 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 126.3 1.84 . . . . 0.0 109.568 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p -104.97 -177.91 3.5 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.865 1.666 . . . . 0.0 107.721 175.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.94 49.29 0.99 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -93.87 -176.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 126.207 1.803 . . . . 0.0 106.911 170.425 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' HG12 ' A' ' 5' ' ' VAL . 5.7 p -110.19 134.93 51.72 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -102.86 172.04 7.05 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.75 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.7 p -126.45 -56.11 1.42 Allowed 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 165.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 p -128.23 159.74 34.28 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 124.715 1.206 . . . . 0.0 108.964 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 t -90.07 83.38 6.07 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.714 2.806 . . . . 0.0 107.61 166.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttp 179.75 -45.94 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.981 -2.599 . . . . 0.0 103.981 -174.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -70.88 -38.84 73.09 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.369 3.067 . . . . 0.0 115.542 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -89.72 -25.4 21.2 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.985 2.514 . . . . 0.0 112.893 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.9 p -90.04 3.78 52.2 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 127.06 2.144 . . . . 0.0 111.223 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.05 -30.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.481 2.312 . . . . 0.0 108.8 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.9 m -71.02 -19.85 62.46 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 125.74 1.616 . . . . 0.0 115.158 166.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -87.38 -40.67 14.21 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.781 2.032 . . . . 0.0 112.026 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -80.41 -20.22 44.45 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.232 2.213 . . . . 0.0 113.583 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.99 -65.47 1.01 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.568 2.347 . . . . 0.0 109.28 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -100.31 -113.7 0.18 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.806 1.642 . . . . 0.0 108.364 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -175.86 56.8 0.01 OUTLIER 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 t -145.01 -172.89 3.94 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 p -131.62 -33.0 1.45 Allowed 'General case' 0 C--N 1.359 1.001 0 C-N-CA 125.391 1.476 . . . . 0.0 107.984 -173.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 123.55 38.41 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 125.433 1.493 . . . . 0.0 107.764 -169.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.64 130.62 1.14 Allowed Glycine 0 CA--C 1.484 -1.892 0 N-CA-C 105.953 -2.859 . . . . 0.0 105.953 -164.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -126.29 -141.6 0.28 Allowed 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 -166.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.1 -179.85 8.46 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.3 ttt -98.83 -125.85 0.16 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.948 1.699 . . . . 0.0 107.181 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -85.45 -39.62 17.32 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.977 1.711 . . . . 0.0 113.219 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -137.53 -10.87 1.62 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.393 -1.289 . . . . 0.0 114.202 -165.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.04 148.18 33.42 Favored 'General case' 0 CA--C 1.487 -1.464 0 CA-C-N 121.607 2.003 . . . . 0.0 108.299 -170.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -135.16 -178.73 5.23 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.18 154.87 42.88 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 176.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -142.6 61.2 1.43 Allowed 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.258 1.55 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 173.873 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.271 0 CA-C-O 121.101 0.476 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -122.51 -8.1 8.59 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 126.073 1.749 . . . . 0.0 109.017 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.93 161.62 37.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -145.56 54.24 1.18 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.591 HG12 ' H ' ' A' ' 6' ' ' SER . 1.9 t -103.64 -169.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.234 0 C-N-CA 127.135 2.174 . . . . 0.0 105.667 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.591 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -114.08 129.53 56.61 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.33 1.452 . . . . 0.0 107.96 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -137.55 151.8 48.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.16 0.981 . . . . 0.0 109.848 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 p -125.8 -44.57 1.79 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 127.393 2.277 . . . . 0.0 108.794 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.2 p -112.57 138.76 48.88 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.166 1.786 . . . . 0.0 111.117 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -86.79 84.45 7.36 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.759 2.024 . . . . 0.0 108.705 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -178.7 -39.18 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 127.815 2.446 . . . . 0.0 104.535 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.96 -31.62 72.31 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 129.171 2.988 . . . . 0.0 115.784 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -87.35 -25.9 23.63 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.204 1.802 . . . . 0.0 112.202 -170.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 p -90.08 -7.83 52.86 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.389 2.276 . . . . 0.0 111.789 170.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.97 -29.02 4.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.391 0 C-N-CA 126.626 1.971 . . . . 0.0 109.498 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -78.51 -22.87 46.74 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 125.954 1.702 . . . . 0.0 112.518 170.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -89.19 -32.43 17.46 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.172 2.189 . . . . 0.0 111.599 -174.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.73 -25.91 32.45 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.204 1.802 . . . . 0.0 112.815 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -90.05 -50.73 5.85 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.903 2.081 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -118.22 -116.19 0.32 Allowed 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -172.07 59.17 0.03 OUTLIER 'General case' 0 C--N 1.354 0.777 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.95 160.13 41.82 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 -175.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 p -119.5 -18.0 8.58 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.695 1.998 . . . . 0.0 107.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 108.97 21.09 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.329 1.852 . . . . 0.0 106.8 -169.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.7 126.54 0.91 Allowed Glycine 0 CA--C 1.486 -1.757 0 N-CA-C 106.611 -2.596 . . . . 0.0 106.611 -166.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -127.06 -149.48 0.41 Allowed 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -169.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.02 172.96 17.25 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 32.6 ttm -99.38 -121.23 0.15 Allowed 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.224 1.81 . . . . 0.0 108.112 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -85.03 -43.2 14.15 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.616 1.567 . . . . 0.0 112.838 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -140.93 -6.55 1.1 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.562 -1.208 . . . . 0.0 113.972 -165.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -144.65 152.03 39.86 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-N 121.566 1.985 . . . . 0.0 108.842 -169.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -128.23 168.85 14.88 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.659 1.584 . . . . 0.0 106.799 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -135.19 152.49 51.62 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 169.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -139.39 56.77 1.66 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -160.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.262 1.711 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 165.403 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.17 0 CA-C-O 121.256 0.551 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -148.11 135.6 20.63 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.74 170.92 7.85 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -141.87 45.31 1.69 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.2 t -94.99 163.49 2.26 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 C-N-CA 128.769 2.828 . . . . 0.0 105.135 170.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 p -95.57 139.86 31.22 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.144 1.378 . . . . 0.0 110.086 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -136.18 151.35 49.63 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 122.034 0.921 . . . . 0.0 109.046 -174.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -123.34 -54.06 1.79 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.125 2.17 . . . . 0.0 108.277 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -111.44 144.2 41.04 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.259 1.824 . . . . 0.0 109.581 -171.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 p -89.88 77.19 7.01 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 125.825 1.65 . . . . 0.0 110.177 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -173.19 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.832 0 C-N-CA 129.668 3.187 . . . . 0.0 105.305 -174.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.9 -26.74 68.45 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 129.391 3.076 . . . . 0.0 116.333 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ABA . . . . . 0.424 ' HG2' ' HG3' ' A' ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 -82.26 -30.56 30.61 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 128.735 2.814 . . . . 0.0 111.755 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 p -90.03 2.61 54.99 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.179 1.792 . . . . 0.0 111.738 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -103.9 -31.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 125.631 1.572 . . . . 0.0 109.814 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.5 m -87.5 -18.52 29.65 Favored 'General case' 0 C--N 1.374 1.655 0 CA-C-N 119.79 1.177 . . . . 0.0 113.428 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -89.17 -28.98 19.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.44 1.496 . . . . 0.0 111.438 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.53 -29.02 33.69 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 127.009 2.124 . . . . 0.0 112.921 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.1 -48.26 7.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.761 1.625 . . . . 0.0 110.959 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -122.38 -116.59 0.3 Allowed 'General case' 0 C--N 1.361 1.1 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -173.09 57.77 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -145.23 173.56 11.84 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 p -132.3 0.79 3.76 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 124.895 1.278 . . . . 0.0 108.7 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 108.77 21.21 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.38 127.11 1.03 Allowed Glycine 0 CA--C 1.489 -1.591 0 N-CA-C 107.701 -2.16 . . . . 0.0 107.701 -170.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -144.97 157.35 44.16 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 102.572 -3.121 . . . . 0.0 102.572 -172.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.48 171.85 7.2 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.148 1.379 . . . . 0.0 110.556 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 ttt -96.7 -123.17 0.12 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.698 1.999 . . . . 0.0 108.65 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -84.91 -38.22 19.64 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 126.196 1.799 . . . . 0.0 113.792 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -133.02 -24.7 1.87 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -163.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -144.06 148.08 34.69 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-N 120.644 1.565 . . . . 0.0 108.892 -163.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ABA . . . . . 0.424 ' HG3' ' HG2' ' A' ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -131.35 176.58 8.17 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 -175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.57 151.79 39.58 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.17 -2.53 . . . . 0.0 104.17 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -141.21 64.42 1.42 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 -161.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--O 1.256 1.432 0 C-N-CA 124.954 1.302 . . . . 0.0 107.999 175.53 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.361 0 CA-C-O 121.321 0.582 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -120.38 147.26 45.28 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.493 1.517 . . . . 0.0 107.852 -171.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 p -112.06 153.52 26.77 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.147 2.179 . . . . 0.0 106.54 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -129.53 49.15 2.29 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.678 1.591 . . . . 0.0 106.719 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.46 155.91 4.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 C-N-CA 128.765 2.826 . . . . 0.0 104.152 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -95.13 136.06 35.93 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.058 1.343 . . . . 0.0 110.782 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.5 t -141.97 149.16 39.72 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 122.077 0.941 . . . . 0.0 108.617 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 p -132.08 -47.86 0.93 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.653 1.981 . . . . 0.0 106.84 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 p -99.93 127.73 46.09 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.863 2.065 . . . . 0.0 109.441 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.7 p -88.7 72.72 8.63 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 127.221 2.209 . . . . 0.0 111.369 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -177.64 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.444 2.298 . . . . 0.0 106.674 -175.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.61 -40.8 96.13 Favored 'General case' 0 C--N 1.371 1.511 0 C-N-CA 129.001 2.92 . . . . 0.0 115.867 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -89.69 -15.86 31.66 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.378 2.271 . . . . 0.0 112.284 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 p -90.05 -0.88 57.83 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.607 2.363 . . . . 0.0 111.09 171.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.07 -41.67 12.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 126.377 1.871 . . . . 0.0 108.564 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.36 -8.79 57.44 Favored 'General case' 0 C--N 1.367 1.353 0 C-N-CA 125.916 1.686 . . . . 0.0 114.878 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.98 -52.6 4.88 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 127.098 2.159 . . . . 0.0 111.067 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -77.41 -16.24 58.93 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.458 2.703 . . . . 0.0 114.829 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.88 -63.51 1.27 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.784 2.034 . . . . 0.0 108.988 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -99.66 -112.32 0.18 Allowed 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.778 1.631 . . . . 0.0 108.873 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 p30 178.3 63.73 0.01 OUTLIER 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.297 1.439 . . . . 0.0 107.33 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -145.01 -175.93 4.89 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 p -128.0 -30.43 2.46 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.511 1.125 . . . . 0.0 108.503 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.82 121.63 36.61 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.114 1.765 . . . . 0.0 107.063 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.55 103.07 0.16 Allowed Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 105.753 -2.939 . . . . 0.0 105.753 -167.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -109.86 -139.46 0.38 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.776 2.43 . . . . 0.0 106.689 -167.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 p -155.01 174.45 15.16 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-O 121.728 0.775 . . . . 0.0 109.892 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ttt -99.32 -121.56 0.15 Allowed 'General case' 0 C--N 1.363 1.192 0 C-N-CA 127.211 2.204 . . . . 0.0 107.973 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -84.81 -42.22 15.34 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.227 1.811 . . . . 0.0 113.204 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.6 -10.79 1.38 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.736 -1.126 . . . . 0.0 113.866 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -144.97 152.2 39.8 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 121.511 1.96 . . . . 0.0 109.395 -170.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -139.92 -171.34 3.15 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.93 145.17 31.44 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 -169.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -143.87 59.66 1.37 Allowed 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -162.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.259 1.561 0 C-N-CA 125.177 1.391 . . . . 0.0 108.298 -178.809 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.231 0 CA-C-O 120.823 0.344 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -124.13 119.89 30.77 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.511 1.525 . . . . 0.0 107.248 -172.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p -127.02 149.14 50.04 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.673 1.989 . . . . 0.0 105.92 -176.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -131.62 51.36 2.15 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.528 1.531 . . . . 0.0 107.165 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -102.56 157.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 C-N-CA 128.54 2.736 . . . . 0.0 104.637 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -94.96 134.41 37.66 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.856 1.262 . . . . 0.0 110.464 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -141.48 149.75 41.33 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 122.293 1.044 . . . . 0.0 108.878 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -130.81 -46.92 1.04 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.128 2.171 . . . . 0.0 107.474 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -104.3 133.02 49.9 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.498 1.919 . . . . 0.0 109.607 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -85.99 76.5 9.82 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.796 2.038 . . . . 0.0 110.711 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.18 -46.79 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -175.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -57.46 -42.84 83.32 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 130.061 3.344 . . . . 0.0 116.986 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -90.02 -23.24 21.53 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 126.306 1.842 . . . . 0.0 111.337 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -89.76 10.57 22.97 Favored 'General case' 0 C--N 1.371 1.531 0 C-N-CA 127.313 2.245 . . . . 0.0 111.484 172.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.13 -42.68 12.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.273 0 C-N-CA 127.333 2.253 . . . . 0.0 106.989 169.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.91 2.17 31.77 Favored 'General case' 0 C--N 1.366 1.291 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -89.79 -44.49 9.93 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 124.994 1.317 . . . . 0.0 110.989 170.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.38 -16.68 41.94 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.35 1.86 . . . . 0.0 113.628 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -90.07 -68.2 0.8 Allowed 'General case' 0 C--N 1.365 1.265 0 C-N-CA 127.6 2.36 . . . . 0.0 109.308 171.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -104.13 -114.65 0.23 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 125.907 1.683 . . . . 0.0 108.229 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -178.13 82.18 0.02 OUTLIER 'General case' 0 C--N 1.354 0.766 0 C-N-CA 126.056 1.742 . . . . 0.0 106.682 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -134.11 176.57 8.47 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 p -144.96 28.78 1.23 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 162.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.7 126.4 22.12 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.48 156.18 26.38 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 105.006 -3.238 . . . . 0.0 105.006 -172.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -145.01 174.73 10.78 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 p -137.68 173.19 11.91 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 ttt -101.73 -122.13 0.17 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.602 1.561 . . . . 0.0 109.0 -171.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -85.03 -37.9 19.82 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.725 1.61 . . . . 0.0 112.933 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -139.12 -16.46 1.08 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.781 -1.58 . . . . 0.0 114.069 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -144.86 153.73 41.91 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-N 122.325 2.33 . . . . 0.0 110.49 -164.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -124.07 177.84 5.6 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 170.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 t -144.06 135.25 25.55 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 -171.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -139.27 83.96 1.97 Allowed 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -163.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 C--O 1.259 1.566 0 C-N-CA 124.914 1.286 . . . . 0.0 110.946 -179.048 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -146.02 159.25 43.53 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -124.47 171.18 10.17 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.774 2.43 . . . . 0.0 105.856 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -148.13 57.25 1.08 Allowed 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 6' ' ' SER . 1.3 t -99.64 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.32 0 C-N-CA 126.451 1.9 . . . . 0.0 106.811 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.526 ' H ' HG12 ' A' ' 5' ' ' VAL . 11.3 p -109.13 133.13 53.41 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.458 1.503 . . . . 0.0 108.841 173.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -140.51 150.64 43.98 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.11 -47.89 1.01 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.141 1.776 . . . . 0.0 107.252 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -104.79 130.1 52.94 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.595 1.958 . . . . 0.0 108.736 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -88.83 77.67 7.75 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.397 1.879 . . . . 0.0 109.651 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -171.98 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.355 0.82 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -55.17 -48.85 73.19 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 131.337 3.855 . . . . 0.0 117.087 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -89.98 -19.44 24.47 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 127.365 2.266 . . . . 0.0 112.559 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -90.14 -2.07 58.03 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 127.526 2.33 . . . . 0.0 111.263 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.4 t -95.0 -30.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 C-N-CA 127.026 2.13 . . . . 0.0 108.936 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.6 m -74.05 -16.7 61.04 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.785 1.634 . . . . 0.0 114.496 168.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -87.18 -52.86 5.17 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.228 2.211 . . . . 0.0 111.858 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -81.24 -9.51 59.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 127.145 2.178 . . . . 0.0 114.972 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -90.01 -64.78 1.09 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 127.012 2.125 . . . . 0.0 109.072 170.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -99.45 -112.94 0.17 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.32 1.848 . . . . 0.0 108.252 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -176.47 59.04 0.01 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -144.99 178.97 7.66 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -145.11 19.0 1.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.62 124.11 44.45 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 103.719 -2.696 . . . . 0.0 103.719 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.43 122.12 0.67 Allowed Glycine 0 CA--C 1.481 -2.066 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -117.37 -143.25 0.37 Allowed 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.305 2.242 . . . . 0.0 105.35 -169.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -155.13 174.49 15.12 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 ttt -96.16 -125.48 0.13 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.138 2.175 . . . . 0.0 107.42 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -86.18 -38.29 17.83 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.46 1.504 . . . . 0.0 113.576 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -134.4 -14.8 2.23 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -145.08 152.16 39.64 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 121.567 1.985 . . . . 0.0 110.565 -167.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.72 166.13 13.15 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 127.833 2.453 . . . . 0.0 104.529 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -145.01 130.63 18.92 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -134.03 63.77 1.62 Allowed 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 125.532 1.533 . . . . 0.0 107.327 -160.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 C--O 1.258 1.543 0 C-N-CA 124.561 1.144 . . . . 0.0 109.909 177.282 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -115.0 158.97 21.34 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 125.985 1.714 . . . . 0.0 107.51 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 p -115.36 156.88 24.71 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.553 1.941 . . . . 0.0 106.285 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -141.01 51.39 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.604 HG12 ' H ' ' A' ' 6' ' ' SER . 1.8 t -94.08 -169.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 127.048 2.139 . . . . 0.0 107.156 172.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.604 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.8 p -115.61 133.45 56.02 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.419 1.487 . . . . 0.0 108.075 174.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -142.95 148.94 37.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p -130.41 -48.39 1.08 Allowed 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.41 1.884 . . . . 0.0 107.168 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -101.35 131.39 47.44 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 126.483 1.913 . . . . 0.0 109.782 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 p -88.82 71.78 8.62 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 127.114 2.166 . . . . 0.0 110.974 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.1 -41.81 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -174.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -57.22 -45.76 83.57 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 129.923 3.289 . . . . 0.0 117.352 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -89.72 -20.37 23.67 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.18 2.192 . . . . 0.0 112.716 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.3 p -89.98 0.89 56.85 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.077 2.151 . . . . 0.0 111.459 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -94.91 -29.83 4.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.046 2.138 . . . . 0.0 108.72 176.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.7 m -75.57 -16.63 60.23 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.545 1.538 . . . . 0.0 113.856 166.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -90.01 -43.48 10.5 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 125.221 1.408 . . . . 0.0 112.764 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -90.06 -14.37 33.96 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 126.086 1.754 . . . . 0.0 114.307 -173.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.85 -63.24 1.31 Allowed 'General case' 0 C--N 1.365 1.264 0 C-N-CA 126.6 1.96 . . . . 0.0 108.975 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.42 ' HD2' HG22 ' A' ' 23' ' ' THR . 0.1 OUTLIER -104.73 -113.27 0.24 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 175.551 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.17 65.25 0.02 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.315 0.961 . . . . 0.0 108.757 -177.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.42 HG22 ' HD2' ' A' ' 21' ' ' HIS . 5.7 t -145.11 -166.91 2.54 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.2 m -134.63 -33.05 0.98 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.569 1.548 . . . . 0.0 107.853 -173.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.9 125.27 39.45 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 124.673 1.189 . . . . 0.0 107.847 -168.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.38 133.98 1.68 Allowed Glycine 0 CA--C 1.484 -1.863 0 N-CA-C 106.321 -2.712 . . . . 0.0 106.321 -162.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -133.63 -140.35 0.19 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -169.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 p -155.1 179.28 9.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.3 ttm -96.16 -126.18 0.13 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.029 2.131 . . . . 0.0 107.27 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.51 -38.72 16.95 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.579 1.552 . . . . 0.0 113.432 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mmmp? -142.37 -1.52 1.17 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.45 -165.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -145.05 153.07 41.06 Favored 'General case' 0 CA--C 1.492 -1.277 0 CA-C-N 122.172 2.26 . . . . 0.0 110.269 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -131.0 174.44 10.0 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 104.254 -2.499 . . . . 0.0 104.254 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.05 140.66 28.26 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -133.13 67.37 1.53 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 -162.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.262 1.72 0 C-N-CA 126.013 1.725 . . . . 0.0 111.135 -173.726 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.165 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -129.6 159.18 37.18 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.709 1.604 . . . . 0.0 108.057 -166.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 p -124.55 160.11 29.11 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 172.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -146.86 52.67 1.09 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -95.98 -172.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 126.584 1.954 . . . . 0.0 106.769 172.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.543 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -112.72 132.85 55.02 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.018 1.327 . . . . 0.0 107.534 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.8 p -104.31 167.07 9.99 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 123.432 0.693 . . . . 0.0 111.48 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -131.38 -52.56 1.02 Allowed 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 168.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -123.59 158.23 31.91 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.016 1.727 . . . . 0.0 108.474 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 p -90.02 80.62 6.34 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.986 2.114 . . . . 0.0 109.959 163.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -171.57 -36.73 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.98 -27.69 65.63 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 130.685 3.594 . . . . 0.0 116.992 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -83.55 -27.19 29.48 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.498 2.719 . . . . 0.0 112.969 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.83 -7.03 55.25 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.067 1.747 . . . . 0.0 111.303 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.99 -31.25 4.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 C-N-CA 125.496 1.518 . . . . 0.0 109.851 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -84.84 -17.69 37.23 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.953 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -89.8 -33.36 16.55 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.173 2.189 . . . . 0.0 111.982 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -27.45 29.26 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 125.964 1.705 . . . . 0.0 112.517 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 tp -89.77 -45.35 9.35 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.692 1.997 . . . . 0.0 110.509 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -122.25 -116.67 0.3 Allowed 'General case' 0 C--N 1.362 1.112 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -173.55 63.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.266 0.0 OUTLIER -143.67 157.27 44.53 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -175.2 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -142.06 35.82 1.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.744 2.418 . . . . 0.0 104.658 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.1 107.75 6.23 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 171.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.46 126.4 0.87 Allowed Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 105.605 -2.998 . . . . 0.0 105.605 -169.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -127.05 -146.25 0.33 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 104.381 -2.451 . . . . 0.0 104.381 -168.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.2 ttt -109.03 -132.48 0.32 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -85.1 -36.03 21.41 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.783 1.633 . . . . 0.0 113.407 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -137.06 -7.38 1.82 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.035 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -144.76 156.2 43.93 Favored 'General case' 0 CA--C 1.49 -1.328 0 CA-C-N 121.117 1.78 . . . . 0.0 109.044 -164.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -137.32 179.64 6.28 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -176.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 152.01 39.45 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -142.17 60.6 1.46 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -165.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.263 1.765 0 C-N-CA 127.782 2.433 . . . . 0.0 113.327 166.306 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.365 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -115.57 -28.58 6.75 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 125.756 1.622 . . . . 0.0 108.895 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -126.0 -177.32 3.9 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -147.83 49.38 1.07 Allowed 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 6' ' ' SER . 2.0 t -101.01 -170.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.286 0 C-N-CA 126.307 1.843 . . . . 0.0 106.323 173.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.629 ' H ' HG12 ' A' ' 5' ' ' VAL . 10.2 p -114.49 134.32 55.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.713 1.605 . . . . 0.0 108.379 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -136.44 150.55 48.79 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -123.99 -53.05 1.75 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.197 2.199 . . . . 0.0 107.669 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -116.55 145.03 43.64 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.133 1.773 . . . . 0.0 108.885 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -89.26 70.68 8.25 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.232 2.213 . . . . 0.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.04 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.03 2.532 . . . . 0.0 105.041 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.34 -41.92 88.86 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 128.58 2.752 . . . . 0.0 116.463 -174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.4 m0 -89.97 -23.83 21.43 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 126.766 2.027 . . . . 0.0 112.106 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 p -90.14 12.36 18.12 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.962 2.105 . . . . 0.0 111.628 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.98 -51.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 C-N-CA 127.206 2.202 . . . . 0.0 107.342 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.41 -14.96 62.77 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -86.47 -38.56 17.17 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.817 1.647 . . . . 0.0 111.416 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -84.98 -11.0 56.46 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.276 1.83 . . . . 0.0 112.942 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -89.98 -66.42 0.93 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 128.603 2.761 . . . . 0.0 110.148 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -109.35 -112.59 0.31 Allowed 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.667 1.987 . . . . 0.0 107.04 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -172.71 55.57 0.02 OUTLIER 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.02 150.67 37.29 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -112.68 -15.74 12.93 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 126.11 1.764 . . . . 0.0 107.384 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.93 108.12 20.16 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 127.179 2.192 . . . . 0.0 105.981 -176.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.72 109.99 0.23 Allowed Glycine 0 CA--C 1.488 -1.619 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 -165.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -114.13 -140.92 0.38 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.213 2.205 . . . . 0.0 106.597 -165.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 p -155.1 174.22 15.5 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 121.515 0.674 . . . . 0.0 110.441 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.3 ttm -94.97 -121.47 0.1 Allowed 'General case' 0 C--N 1.366 1.313 0 C-N-CA 127.432 2.293 . . . . 0.0 108.263 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.02 -41.06 16.15 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.741 1.617 . . . . 0.0 113.502 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -139.76 -12.3 1.14 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -166.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -137.63 151.37 48.23 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 121.485 1.948 . . . . 0.0 108.967 -166.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -134.19 -175.25 3.8 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.65 149.03 35.01 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 -173.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.05 65.41 1.26 Allowed 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -163.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.257 1.478 0 C-N-CA 125.073 1.349 . . . . 0.0 112.468 -175.382 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -134.73 155.18 51.01 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 125.449 1.499 . . . . 0.0 107.414 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.03 153.69 46.89 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -141.09 57.88 1.54 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 6' ' ' SER . 2.2 t -104.28 -167.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 127.391 2.276 . . . . 0.0 105.655 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.615 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.2 p -120.5 128.39 53.08 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.656 1.583 . . . . 0.0 107.537 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -141.0 152.27 44.78 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -125.7 -46.4 1.73 Allowed 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.404 1.882 . . . . 0.0 109.398 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 p -112.46 131.58 55.5 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.024 1.73 . . . . 0.0 108.131 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -40.05 -54.89 2.18 Favored 'General case' 0 C--N 1.369 1.43 0 N-CA-C 118.96 2.948 . . . . 0.0 118.96 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.81 -33.95 64.91 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 131.386 3.875 . . . . 0.0 115.965 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -47.94 -40.7 22.88 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 130.344 3.458 . . . . 0.0 118.403 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -89.96 -21.97 22.16 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 126.739 2.016 . . . . 0.0 113.706 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 p -89.93 1.16 56.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.816 2.046 . . . . 0.0 111.147 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -95.09 -33.97 5.17 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 C-N-CA 126.97 2.108 . . . . 0.0 109.451 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.74 -19.06 38.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.663 1.985 . . . . 0.0 113.527 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -89.57 -38.45 13.96 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.058 2.143 . . . . 0.0 111.185 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -89.87 -16.64 29.63 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.848 1.659 . . . . 0.0 112.928 -177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -90.2 -47.15 7.97 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 126.642 1.977 . . . . 0.0 111.253 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -118.28 -117.83 0.32 Allowed 'General case' 0 C--N 1.363 1.175 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -170.02 61.29 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -168.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -144.98 -163.92 1.81 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 103.075 -2.935 . . . . 0.0 103.075 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 p -144.93 3.67 1.08 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.262 0.937 . . . . 0.0 109.305 170.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.91 177.11 4.74 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.475 1.51 . . . . 0.0 107.21 -170.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.13 -178.45 35.28 Favored Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 105.954 -2.859 . . . . 0.0 105.954 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -145.01 -156.37 0.69 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 101.908 -3.368 . . . . 0.0 101.908 164.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 p -153.86 172.7 16.96 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 163.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.2 ttt -99.72 -121.47 0.15 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.552 1.541 . . . . 0.0 108.401 -172.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -84.91 -41.89 15.52 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.28 1.432 . . . . 0.0 112.403 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -144.76 -0.88 0.9 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.685 -165.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -144.94 153.77 41.88 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 122.053 2.206 . . . . 0.0 109.087 -173.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 22.0 ttt180 -131.07 178.18 6.89 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 174.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.01 142.59 29.91 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 -170.198 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -144.9 80.63 1.63 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.261 1.682 0 C-N-CA 126.055 1.742 . . . . 0.0 107.588 176.615 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.354 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -135.86 -11.83 2.0 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.292 1.037 . . . . 0.0 111.061 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 p -133.7 -177.96 4.79 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 169.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -151.74 49.43 0.8 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.587 HG12 ' H ' ' A' ' 6' ' ' SER . 1.6 t -97.77 -171.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 125.781 1.632 . . . . 0.0 107.007 175.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.587 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.2 p -112.12 131.35 55.5 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.573 1.549 . . . . 0.0 108.37 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.9 t -136.72 155.56 49.7 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 121.832 0.825 . . . . 0.0 109.31 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -125.48 -52.65 1.6 Allowed 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.087 2.155 . . . . 0.0 108.585 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 p -109.22 144.71 36.97 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.101 1.76 . . . . 0.0 110.595 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 p -86.14 76.77 9.71 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.134 1.773 . . . . 0.0 109.99 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -174.38 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.837 2.455 . . . . 0.0 105.85 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.85 -26.81 67.09 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 129.503 3.121 . . . . 0.0 117.683 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -84.78 -29.29 25.56 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 127.363 2.265 . . . . 0.0 111.377 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 p -89.95 -0.35 57.52 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.431 1.892 . . . . 0.0 111.772 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.5 t -96.74 -42.8 12.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 126.145 1.778 . . . . 0.0 108.503 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 m -75.5 -12.31 60.21 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.175 1.79 . . . . 0.0 115.78 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.13 -38.35 14.38 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.95 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -79.01 -25.48 43.29 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.092 1.357 . . . . 0.0 113.991 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.09 -73.16 0.53 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 126.678 1.991 . . . . 0.0 110.985 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -95.06 -23.53 17.3 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.687 1.595 . . . . 0.0 114.158 -165.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.485 16.0 p30 67.88 58.61 0.48 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 130.012 3.325 . . . . 0.0 114.056 -172.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 t -145.05 -177.04 5.34 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.3 p -145.03 32.2 1.12 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 111.02 15.52 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 173.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.6 132.68 1.52 Allowed Glycine 0 CA--C 1.489 -1.579 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -133.74 -178.61 5.09 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 p -127.83 172.15 11.12 Favored 'General case' 0 C--N 1.36 1.043 0 O-C-N 120.828 -1.17 . . . . 0.0 110.147 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.2 ttt -97.27 -121.96 0.13 Allowed 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -85.04 -42.64 14.66 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.375 1.47 . . . . 0.0 113.049 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -142.03 -4.11 1.06 Allowed 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -165.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -144.86 151.21 38.39 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-N 121.54 1.973 . . . . 0.0 108.537 -169.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -136.6 170.76 15.53 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.66 150.78 39.23 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -140.57 60.31 1.53 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -162.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.26 1.656 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 175.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.381 0 CA-C-O 121.337 0.589 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -115.81 156.4 26.13 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 173.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -114.64 169.41 9.08 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 126.294 1.838 . . . . 0.0 106.931 -170.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -147.59 54.33 1.06 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -96.83 -170.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.318 0 C-N-CA 126.654 1.981 . . . . 0.0 107.02 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.545 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.5 p -111.09 131.79 54.79 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 125.418 1.487 . . . . 0.0 108.814 173.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 t -138.94 150.64 46.13 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 121.94 0.876 . . . . 0.0 108.685 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.69 -49.08 1.15 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 126.288 1.835 . . . . 0.0 107.315 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -103.18 129.04 49.97 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.817 2.047 . . . . 0.0 109.367 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 p -86.34 72.96 10.25 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 126.968 2.107 . . . . 0.0 111.348 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -175.79 -31.36 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.984 2.113 . . . . 0.0 107.351 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.15 -41.83 97.47 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 129.019 2.928 . . . . 0.0 116.422 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -89.62 -16.36 30.69 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.447 2.299 . . . . 0.0 112.582 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 p -90.05 -2.04 58.05 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 127.576 2.351 . . . . 0.0 111.542 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.18 -34.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 C-N-CA 126.9 2.08 . . . . 0.0 108.698 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 m -69.28 -22.74 63.79 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.981 2.112 . . . . 0.0 114.228 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -45.47 10.43 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.652 2.381 . . . . 0.0 112.714 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -25.42 36.56 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.665 1.986 . . . . 0.0 113.842 -176.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.53 -61.18 1.86 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.877 2.071 . . . . 0.0 109.541 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -115.6 0.16 Allowed 'General case' 0 C--N 1.363 1.194 0 C-N-CA 124.675 1.19 . . . . 0.0 107.87 170.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -177.74 58.57 0.01 OUTLIER 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 t -145.06 -178.35 6.0 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.2 m -129.96 -15.04 3.88 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 125.223 1.409 . . . . 0.0 108.341 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.82 112.53 24.25 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.859 1.664 . . . . 0.0 106.812 -169.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.85 133.96 1.57 Allowed Glycine 0 CA--C 1.482 -2.005 0 N-CA-C 107.235 -2.346 . . . . 0.0 107.235 -167.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -132.41 -139.62 0.2 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 104.603 -2.369 . . . . 0.0 104.603 -166.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 p -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.499 -1.019 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.8 ttt -95.31 -123.96 0.11 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.518 2.327 . . . . 0.0 107.496 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -85.33 -43.19 13.92 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.634 1.973 . . . . 0.0 113.242 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -140.98 -3.11 1.26 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.879 -1.058 . . . . 0.0 113.617 -163.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -145.08 152.28 39.83 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 121.539 1.972 . . . . 0.0 109.436 -171.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -135.55 178.46 7.02 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -145.13 151.23 38.15 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.56 61.65 1.47 Allowed 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 -161.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.257 1.498 0 C-N-CA 125.728 1.611 . . . . 0.0 106.996 176.206 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.266 0 CA-C-O 120.726 0.298 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -110.04 148.82 30.98 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.352 1.861 . . . . 0.0 106.17 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.83 176.89 5.06 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 125.356 1.462 . . . . 0.0 107.996 -174.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.02 48.2 0.99 Allowed 'General case' 0 C--N 1.357 0.93 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.583 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.84 -171.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.42 0 C-N-CA 125.853 1.661 . . . . 0.0 107.543 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.583 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.8 p -108.5 134.83 50.73 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.367 1.467 . . . . 0.0 108.375 175.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -137.4 152.22 49.4 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.028 0.918 . . . . 0.0 109.066 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 p -130.19 -49.06 1.1 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.042 2.137 . . . . 0.0 107.471 172.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.1 p -106.35 138.92 41.66 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.46 1.904 . . . . 0.0 110.379 -172.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 p -88.75 83.69 6.7 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 125.482 1.513 . . . . 0.0 109.73 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -175.02 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.276 2.63 . . . . 0.0 105.183 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -60.08 -28.67 68.0 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 130.335 3.454 . . . . 0.0 116.674 174.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ABA . . . . . 0.457 ' HG2' ' HG3' ' A' ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -81.31 -28.98 34.38 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 128.29 2.636 . . . . 0.0 111.974 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -89.93 4.81 48.89 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.37 1.868 . . . . 0.0 112.023 172.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.72 -28.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.22 0 C-N-CA 124.949 1.3 . . . . 0.0 109.999 173.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.2 m -84.47 -17.57 38.66 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.171 1.388 . . . . 0.0 112.275 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -90.08 -28.5 18.97 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.306 1.842 . . . . 0.0 111.899 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -89.56 -21.73 22.73 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.23 1.412 . . . . 0.0 113.542 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -89.89 -50.94 5.74 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 125.394 1.477 . . . . 0.0 109.729 171.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 -114.51 0.31 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -173.32 58.02 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -173.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -145.02 171.61 14.22 Favored 'General case' 0 C--N 1.361 1.074 0 O-C-N 121.268 -0.895 . . . . 0.0 108.999 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.0 p -145.09 37.97 1.16 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -167.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.2 116.48 12.64 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 102.911 -2.996 . . . . 0.0 102.911 165.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.51 132.27 1.46 Allowed Glycine 0 C--N 1.35 1.322 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -172.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 159.24 43.25 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 102.768 -3.049 . . . . 0.0 102.768 -171.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 p -108.47 172.77 6.65 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.643 1.177 . . . . 0.0 110.477 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ttt -97.1 -121.88 0.12 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.195 1.798 . . . . 0.0 108.274 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -85.28 -39.19 18.0 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.652 1.581 . . . . 0.0 114.208 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -136.51 -20.73 1.36 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -160.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 151.35 38.96 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 121.26 1.846 . . . . 0.0 107.36 -167.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ABA . . . . . 0.457 ' HG3' ' HG2' ' A' ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -136.67 177.87 7.52 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.09 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -178.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -145.12 61.87 1.3 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 -165.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.258 1.528 0 C-N-CA 125.665 1.586 . . . . 0.0 109.38 -176.288 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.22 0 CA-C-O 120.871 0.367 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -111.53 166.15 11.39 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.476 1.91 . . . . 0.0 106.918 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.06 158.95 15.24 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.734 2.414 . . . . 0.0 108.77 176.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -137.87 54.5 1.8 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 124.882 1.273 . . . . 0.0 108.28 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.608 HG12 ' H ' ' A' ' 6' ' ' SER . 2.0 t -102.29 -167.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 126.864 2.066 . . . . 0.0 106.158 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.608 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.9 p -116.56 132.17 56.75 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.476 1.51 . . . . 0.0 108.31 173.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -145.82 148.65 33.13 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.86 0.838 . . . . 0.0 109.175 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -129.01 -44.61 1.29 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 126.743 2.017 . . . . 0.0 108.362 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -109.73 140.02 44.11 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.004 1.722 . . . . 0.0 109.808 -175.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.9 t -86.84 77.92 9.16 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.798 2.039 . . . . 0.0 109.598 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -174.64 -43.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.109 2.164 . . . . 0.0 105.221 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.8 -45.09 49.5 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 131.012 3.725 . . . . 0.0 118.832 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -90.1 -19.07 24.76 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 127.135 2.174 . . . . 0.0 113.371 -174.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 p -89.88 -0.49 57.59 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.927 2.091 . . . . 0.0 111.142 172.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.2 t -95.34 -41.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 125.997 1.719 . . . . 0.0 109.243 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -82.76 -4.83 58.47 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 126.055 1.742 . . . . 0.0 113.946 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.147 2.179 . . . . 0.0 111.326 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -89.33 -12.08 41.54 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.192 1.797 . . . . 0.0 113.585 -173.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -90.07 -48.35 7.25 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.336 1.854 . . . . 0.0 110.191 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -109.83 -116.05 0.3 Allowed 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.4 1.48 . . . . 0.0 107.269 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -173.0 57.42 0.02 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -170.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -144.71 -156.95 0.74 Allowed 'General case' 0 C--N 1.359 0.995 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 175.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -145.1 -2.42 0.8 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-N 120.092 1.314 . . . . 0.0 110.751 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -117.77 -170.52 1.88 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.946 1.298 . . . . 0.0 108.621 -175.688 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.2 168.04 16.52 Favored Glycine 0 N--CA 1.433 -1.566 0 N-CA-C 103.475 -3.85 . . . . 0.0 103.475 -166.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -144.9 170.66 15.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 101.565 -3.494 . . . . 0.0 101.565 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.0 p -133.88 173.43 11.56 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -121.81 0.15 Allowed 'General case' 0 C--N 1.363 1.178 0 C-N-CA 126.184 1.794 . . . . 0.0 107.096 -171.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -85.46 -43.66 13.4 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 124.421 1.088 . . . . 0.0 112.747 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -144.95 3.99 1.09 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.76 -1.114 . . . . 0.0 113.931 -165.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -145.14 152.62 40.32 Favored 'General case' 0 CA--C 1.487 -1.456 0 CA-C-N 121.556 1.98 . . . . 0.0 110.122 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -128.53 173.74 9.99 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.55 135.21 24.73 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -166.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -144.86 92.68 2.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 -168.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.26 1.645 0 N-CA-C 106.387 -1.708 . . . . 0.0 106.387 -178.77 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.224 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -125.06 162.01 25.5 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.055 1.742 . . . . 0.0 107.363 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.444 HG21 HG12 ' A' ' 16' ' ' VAL . 7.2 p -123.86 156.82 35.51 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 174.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -142.22 52.27 1.47 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.542 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.41 -172.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.725 2.01 . . . . 0.0 107.001 172.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.542 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.0 p -113.25 132.12 55.65 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.126 1.37 . . . . 0.0 107.537 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.0 p -105.35 170.52 7.83 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.752 0.821 . . . . 0.0 110.8 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 p -132.85 -52.75 0.92 Allowed 'General case' 0 C--N 1.357 0.91 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 168.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -121.18 157.15 30.83 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.252 1.821 . . . . 0.0 108.015 -176.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.3 m -90.08 72.76 7.32 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.107 2.163 . . . . 0.0 109.784 165.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -163.29 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.15 2.58 . . . . 0.0 106.201 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.27 -22.97 67.14 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 130.318 3.447 . . . . 0.0 115.626 177.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ABA . . . . . 0.433 ' HG1' ' HB3' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -82.2 -30.43 30.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 128.374 2.67 . . . . 0.0 112.213 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.7 p -89.95 -3.3 58.1 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 126.32 1.848 . . . . 0.0 111.335 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.444 HG12 HG21 ' A' ' 3' ' ' THR . 5.0 t -96.89 -29.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 C-N-CA 125.755 1.622 . . . . 0.0 109.726 176.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.2 m -80.81 -17.77 49.7 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -89.76 -35.45 15.72 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.733 1.613 . . . . 0.0 111.45 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -19.93 46.3 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.245 1.818 . . . . 0.0 113.786 -176.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.06 -67.97 0.81 Allowed 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.6 2.36 . . . . 0.0 109.903 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -102.73 -114.83 0.21 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.401 1.88 . . . . 0.0 108.255 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -175.55 58.18 0.02 OUTLIER 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.99 176.93 9.13 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.3 m -127.85 -16.79 4.59 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 124.015 0.926 . . . . 0.0 108.851 -175.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 118.21 31.44 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -172.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.36 131.61 1.27 Allowed Glycine 0 CA--C 1.487 -1.714 0 N-CA-C 104.944 -3.262 . . . . 0.0 104.944 -166.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -129.09 -146.0 0.31 Allowed 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HB3' ' HG1' ' A' ' 13' ' ' ABA . 0.2 OUTLIER -152.94 174.88 13.57 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 -175.432 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -107.12 -128.82 0.27 Allowed 'General case' 0 C--N 1.36 1.063 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.92 -42.59 14.85 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.968 1.707 . . . . 0.0 113.058 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -142.32 4.45 1.59 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.62 1.168 . . . . 0.0 112.049 -166.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -144.87 156.89 44.25 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 121.034 1.743 . . . . 0.0 109.037 -173.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ABA . . . . . 0.405 ' HG3' ' HG2' ' A' ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -136.45 169.84 17.02 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -174.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -145.06 137.88 26.3 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -135.97 73.06 1.45 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 -164.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.261 1.669 0 C-N-CA 125.27 1.428 . . . . 0.0 110.185 -177.874 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.34 0 CA-C-O 120.723 0.297 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -100.46 151.75 21.19 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.411 1.885 . . . . 0.0 108.835 -174.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -103.41 -173.54 2.34 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.502 1.521 . . . . 0.0 108.678 -176.338 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.89 53.3 0.92 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.332 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -99.57 -169.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.117 1.767 . . . . 0.0 106.836 173.089 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.589 ' H ' HG12 ' A' ' 5' ' ' VAL . 9.7 p -114.83 135.66 53.94 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.618 1.567 . . . . 0.0 108.45 174.07 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 t -144.66 148.54 34.39 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -130.41 -47.21 1.08 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 126.562 1.945 . . . . 0.0 107.3 175.06 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -104.59 129.37 52.7 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.49 1.916 . . . . 0.0 108.698 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -87.53 72.18 9.67 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.68 1.992 . . . . 0.0 111.116 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -172.74 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 126.48 1.912 . . . . 0.0 107.131 -178.653 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -56.3 -44.94 80.38 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 130.384 3.474 . . . . 0.0 116.791 172.151 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -90.08 -18.42 25.92 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.263 2.225 . . . . 0.0 113.18 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 p -90.03 0.5 57.08 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 126.792 2.037 . . . . 0.0 111.389 171.45 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.07 -38.18 8.58 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 C-N-CA 126.921 2.089 . . . . 0.0 108.917 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.3 m -79.61 -11.13 59.88 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.005 1.722 . . . . 0.0 114.305 171.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -89.55 -50.16 6.25 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.864 2.065 . . . . 0.0 112.161 -176.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -80.89 -18.74 46.23 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.61 1.964 . . . . 0.0 114.006 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -90.0 -43.14 10.73 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.23 1.812 . . . . 0.0 110.778 178.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -119.36 -115.38 0.32 Allowed 'General case' 0 C--N 1.363 1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -177.06 58.8 0.01 OUTLIER 'General case' 0 C--N 1.353 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 107.617 -175.701 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -145.03 178.68 7.87 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.1 m -122.16 -15.1 7.81 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 107.997 175.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.97 109.36 21.39 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.549 1.939 . . . . 0.0 106.881 -169.117 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.83 112.56 0.33 Allowed Glycine 0 CA--C 1.486 -1.767 0 N-CA-C 106.922 -2.471 . . . . 0.0 106.922 -172.085 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -114.03 -146.78 0.41 Allowed 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.034 2.134 . . . . 0.0 105.563 -170.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 p -155.01 176.39 12.6 Favored 'General case' 0 CA--C 1.495 -1.171 0 CA-C-O 121.428 0.632 . . . . 0.0 109.608 175.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 ttm -97.1 -124.06 0.13 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.697 1.999 . . . . 0.0 107.778 174.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.24 -41.13 15.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.204 1.401 . . . . 0.0 113.516 176.35 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -145.07 4.16 1.07 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -164.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -144.96 150.5 37.06 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-N 121.546 1.975 . . . . 0.0 109.282 179.199 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -126.62 -171.3 2.37 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 140.8 28.48 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 175.557 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -124.21 -14.27 7.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.714 1.606 . . . . 0.0 108.77 -162.637 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . 0.287 60.5 p . . . . . 0 C--O 1.26 1.657 0 C-N-CA 129.86 3.264 . . . . 0.0 116.96 174.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -124.21 160.13 28.6 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.104 1.762 . . . . 0.0 106.603 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 p -105.21 154.81 19.71 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.543 1.937 . . . . 0.0 108.015 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -138.56 52.27 1.81 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.22 -169.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 127.009 2.124 . . . . 0.0 106.733 174.466 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.584 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.6 p -118.61 130.7 56.02 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 172.324 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 p -101.89 173.09 6.55 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.738 0.815 . . . . 0.0 111.103 -178.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 p -124.77 -56.77 1.57 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 171.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -131.07 159.62 37.06 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.767 1.627 . . . . 0.0 106.99 -178.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -90.04 57.8 3.92 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.907 2.483 . . . . 0.0 111.749 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -168.33 -33.33 0.02 OUTLIER 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.844 1.658 . . . . 0.0 109.248 -173.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.73 -32.26 65.57 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 128.103 2.561 . . . . 0.0 114.784 -179.413 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -89.99 -18.65 25.61 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.18 2.592 . . . . 0.0 113.193 177.01 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 p -89.99 -2.62 58.18 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 126.978 2.111 . . . . 0.0 111.141 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.93 -24.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.407 2.283 . . . . 0.0 109.082 177.286 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -72.37 -29.57 63.9 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.673 1.589 . . . . 0.0 113.174 165.136 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -89.06 -36.36 15.81 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 127.303 2.241 . . . . 0.0 113.161 -169.54 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -83.86 -19.17 35.33 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.857 2.063 . . . . 0.0 113.327 -177.159 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.13 -61.91 1.58 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.901 2.481 . . . . 0.0 108.889 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -106.21 -112.74 0.27 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.903 1.681 . . . . 0.0 108.671 -177.44 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -175.72 57.8 0.01 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.298 1.439 . . . . 0.0 107.217 -173.626 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.76 44.02 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -172.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -126.21 -6.73 6.53 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 126.534 1.933 . . . . 0.0 107.814 178.122 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.05 112.87 24.53 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.614 1.965 . . . . 0.0 107.265 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.77 163.36 36.84 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 106.171 -2.771 . . . . 0.0 106.171 -169.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -144.98 -150.36 0.32 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.09 175.25 14.08 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 172.714 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 ttt -105.72 -130.2 0.28 Allowed 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -175.238 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -84.99 -37.91 19.88 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.572 1.549 . . . . 0.0 112.934 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -140.91 -3.05 1.27 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.101 -1.428 . . . . 0.0 113.084 -170.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -141.11 159.85 41.33 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 122.379 2.354 . . . . 0.0 108.353 -171.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -139.57 173.16 11.83 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -145.11 140.17 27.84 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 -175.245 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -130.27 40.9 3.47 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 126.247 1.819 . . . . 0.0 106.167 -160.042 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.26 1.613 0 C-N-CA 126.138 1.775 . . . . 0.0 109.642 177.931 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.93 0 CA-C-O 121.611 0.72 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -117.91 162.83 17.49 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 126.42 1.888 . . . . 0.0 107.147 -174.186 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 p -113.36 151.69 30.93 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 125.887 1.675 . . . . 0.0 107.402 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -141.91 56.16 1.48 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 -178.3 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 6' ' ' SER . 2.4 t -97.74 -168.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 127.348 2.259 . . . . 0.0 106.295 176.415 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.621 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -122.39 130.01 52.67 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 172.023 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.36 175.45 5.47 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 123.658 0.783 . . . . 0.0 110.594 -177.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -130.11 -55.36 1.11 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 164.048 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -122.9 151.95 41.26 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.465 1.506 . . . . 0.0 107.943 -177.668 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -89.9 71.68 7.54 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 127.739 2.416 . . . . 0.0 110.596 173.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -170.09 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 -176.276 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -60.46 -40.62 91.87 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 130.891 3.676 . . . . 0.0 115.927 177.14 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -90.01 -21.76 22.22 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 127.491 2.316 . . . . 0.0 112.227 174.274 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 p -90.04 8.3 33.26 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.383 2.273 . . . . 0.0 111.044 173.137 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.08 -43.04 12.86 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 126.725 2.01 . . . . 0.0 108.187 171.398 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 m -85.19 -5.68 59.32 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 124.602 1.161 . . . . 0.0 114.088 179.056 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -89.96 -37.5 14.31 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.743 2.017 . . . . 0.0 111.793 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.43 -12.48 43.03 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.897 2.079 . . . . 0.0 112.608 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.95 -65.66 1.0 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 128.301 2.641 . . . . 0.0 110.549 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -101.62 -112.57 0.2 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.801 2.04 . . . . 0.0 107.444 -174.181 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.98 57.98 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.98 173.22 12.06 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -179.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 p -144.98 23.61 1.52 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 178.386 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.39 123.72 48.26 Favored 'General case' 0 C--N 1.366 1.303 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 170.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.12 160.76 34.43 Favored Glycine 0 CA--C 1.482 -1.996 0 N-CA-C 104.14 -3.584 . . . . 0.0 104.14 -173.193 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 -170.2 3.36 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 176.888 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.1 155.64 34.39 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 101.848 -3.39 . . . . 0.0 101.848 174.357 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 ttp -99.45 -122.61 0.15 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 124.472 1.109 . . . . 0.0 108.618 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -85.09 -37.21 20.56 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.235 1.014 . . . . 0.0 113.537 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -136.81 -20.7 1.29 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.829 -166.228 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -133.22 168.2 18.98 Favored 'General case' 0 C--N 1.365 1.274 0 CA-C-N 121.139 1.79 . . . . 0.0 109.141 -168.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 15.6 ttm105 -133.49 179.32 6.29 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 172.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.564 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -144.76 143.81 30.86 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 102.985 -2.968 . . . . 0.0 102.985 -169.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -145.07 64.75 1.27 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -169.108 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.259 1.588 0 C-N-CA 125.505 1.522 . . . . 0.0 110.86 -180.0 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.089 0 CA-C-O 121.03 0.443 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.0 153.38 41.43 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 -178.166 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p -122.29 178.31 5.0 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 172.121 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.32 49.05 1.84 Allowed 'General case' 0 C--N 1.359 1.009 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 175.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.1 t -102.93 159.92 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 C-N-CA 128.849 2.859 . . . . 0.0 104.318 173.374 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 p -95.18 139.96 30.77 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 124.994 1.317 . . . . 0.0 110.821 -179.387 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -144.65 151.15 38.54 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -176.421 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.39 -47.76 0.99 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.342 1.857 . . . . 0.0 107.099 174.169 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p -104.45 131.08 52.21 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.426 1.891 . . . . 0.0 109.267 -177.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -88.66 74.21 8.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 127.258 2.223 . . . . 0.0 110.3 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -173.44 -43.29 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -169.189 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.55 -42.71 98.37 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 129.323 3.049 . . . . 0.0 116.016 -178.674 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -89.02 -25.87 21.76 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.38 2.272 . . . . 0.0 112.235 176.75 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -90.03 13.8 13.91 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 111.623 170.172 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.55 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 126.332 1.853 . . . . 0.0 109.176 172.681 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.82 -16.08 58.59 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 120.051 1.296 . . . . 0.0 114.3 172.087 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -90.04 -34.99 15.74 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.855 2.062 . . . . 0.0 112.572 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.81 -16.39 30.28 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 126.229 1.812 . . . . 0.0 113.344 -176.717 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.93 -61.97 1.57 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.07 2.148 . . . . 0.0 109.049 176.497 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -100.68 -114.54 0.18 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 125.838 1.655 . . . . 0.0 108.076 -178.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.73 61.27 0.01 OUTLIER 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -175.851 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -145.0 -167.21 2.61 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.2 p -135.42 -13.92 2.0 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 123.818 0.847 . . . . 0.0 109.779 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.01 115.52 27.53 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 124.859 1.264 . . . . 0.0 107.669 -172.223 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.44 107.17 0.24 Allowed Glycine 0 CA--C 1.483 -1.91 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -171.69 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -107.97 -149.47 0.43 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.328 1.851 . . . . 0.0 106.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -155.02 174.75 14.73 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.063 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -119.32 0.1 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.753 1.621 . . . . 0.0 108.726 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -85.01 -41.24 16.0 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.934 1.294 . . . . 0.0 113.529 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -140.12 -11.58 1.1 Allowed 'General case' 0 C--N 1.356 0.887 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -163.159 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -145.03 149.07 34.46 Favored 'General case' 0 C--N 1.366 1.283 0 CA-C-N 121.765 2.075 . . . . 0.0 109.838 -174.175 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -129.46 -178.09 4.53 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 104.938 -2.245 . . . . 0.0 104.938 -173.299 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.99 140.68 28.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 -177.704 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -131.11 34.22 4.06 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.914 2.086 . . . . 0.0 106.291 -162.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.26 1.622 0 C-N-CA 127.233 2.213 . . . . 0.0 111.643 -178.324 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.367 0 CA-C-O 121.314 0.578 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -105.76 164.68 11.74 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 126.895 2.078 . . . . 0.0 106.992 178.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -102.04 168.75 9.19 Favored 'General case' 0 C--N 1.365 1.266 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 175.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -135.83 49.97 2.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.7 t -103.93 155.42 5.73 Favored 'Isoleucine or valine' 0 C--N 1.363 1.156 0 C-N-CA 128.413 2.685 . . . . 0.0 104.289 171.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -95.11 137.9 33.54 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.179 1.392 . . . . 0.0 110.163 -179.253 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -141.49 147.79 38.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 122.374 1.083 . . . . 0.0 108.776 -176.128 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 p -132.33 -45.91 0.91 Allowed 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.091 2.156 . . . . 0.0 107.348 175.078 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 p -105.22 132.72 51.07 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.526 1.93 . . . . 0.0 108.708 -177.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 p -89.85 72.98 7.53 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 126.499 1.92 . . . . 0.0 111.203 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -173.51 -35.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 105.994 -178.261 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.0 -47.04 44.76 Favored 'General case' 0 C--N 1.371 1.508 1 C-N-CA 131.709 4.004 . . . . 0.0 117.963 172.29 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -89.21 -20.67 23.89 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.419 2.287 . . . . 0.0 111.943 179.276 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 p -90.0 6.92 40.14 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 127.663 2.385 . . . . 0.0 111.731 169.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.4 -36.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.074 1.749 . . . . 0.0 109.132 173.119 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 m -81.57 -7.67 59.62 Favored 'General case' 0 C--N 1.372 1.56 0 C-N-CA 125.949 1.699 . . . . 0.0 113.501 173.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -89.87 -35.53 15.58 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.149 2.18 . . . . 0.0 111.303 174.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -89.61 -24.46 21.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.565 1.946 . . . . 0.0 113.505 -177.07 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -90.14 -43.69 10.28 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.963 1.705 . . . . 0.0 110.406 178.708 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -115.09 -119.04 0.31 Allowed 'General case' 0 C--N 1.362 1.132 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -175.21 62.42 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -177.013 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -144.7 -170.58 3.43 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 p -128.64 -35.97 1.88 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 128.02 41.33 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.996 1.718 . . . . 0.0 108.038 -172.326 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.53 100.71 0.14 Allowed Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 105.88 -2.888 . . . . 0.0 105.88 -168.077 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -106.95 -143.35 0.38 Allowed 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.762 2.425 . . . . 0.0 107.996 -167.072 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 p -155.16 175.14 14.23 Favored 'General case' 0 CA--C 1.495 -1.155 0 C-N-CA 123.696 0.798 . . . . 0.0 108.93 176.074 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -98.42 -118.75 0.14 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.4 1.88 . . . . 0.0 107.661 171.054 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.1 p30 -88.34 -33.64 17.9 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 125.057 1.343 . . . . 0.0 114.429 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -131.56 -35.11 1.32 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -164.144 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -137.39 152.67 49.9 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 120.548 1.522 . . . . 0.0 109.034 -166.368 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -120.48 -172.58 2.4 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.107 2.163 . . . . 0.0 105.302 178.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 142.08 29.53 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 -178.76 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -144.79 61.69 1.32 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 -163.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 p . . . . . 0 C--O 1.259 1.596 0 C-N-CA 125.265 1.426 . . . . 0.0 110.949 -178.328 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.209 0 CA-C-O 121.673 0.749 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -105.44 165.0 11.44 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 127.565 2.346 . . . . 0.0 106.728 177.783 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -95.95 177.53 5.72 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 124.908 1.283 . . . . 0.0 108.249 174.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -145.36 52.95 1.19 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.403 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.16 -172.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.406 0 C-N-CA 125.776 1.631 . . . . 0.0 107.129 170.199 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.582 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.4 p -111.91 132.51 54.69 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.582 1.553 . . . . 0.0 108.062 174.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -137.97 153.47 49.44 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 121.933 0.873 . . . . 0.0 109.815 -177.272 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.1 p -125.81 -47.42 1.67 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.253 2.221 . . . . 0.0 108.752 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 p -112.22 141.23 46.17 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 125.759 1.624 . . . . 0.0 110.765 -170.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 p -86.93 74.34 9.76 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.639 1.976 . . . . 0.0 110.907 177.596 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -173.94 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.355 0.848 0 C-N-CA 127.423 2.289 . . . . 0.0 105.445 -173.672 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.56 -29.67 68.09 Favored 'General case' 0 C--N 1.369 1.431 0 C-N-CA 130.154 3.382 . . . . 0.0 117.567 177.639 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -90.02 -16.28 30.12 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.03 1.732 . . . . 0.0 111.975 -168.124 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -90.03 -7.09 54.75 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.095 2.158 . . . . 0.0 111.692 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.99 -35.37 6.02 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 C-N-CA 125.469 1.508 . . . . 0.0 109.536 -176.366 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -82.4 -11.48 58.52 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.03 1.332 . . . . 0.0 113.815 175.36 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -87.95 -40.57 13.81 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 125.351 1.46 . . . . 0.0 110.947 173.651 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.59 58.99 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.349 1.86 . . . . 0.0 113.82 -176.276 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.02 -42.09 11.34 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.965 2.106 . . . . 0.0 111.416 -178.293 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -118.88 -119.08 0.31 Allowed 'General case' 0 C--N 1.363 1.18 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -178.148 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.92 56.35 0.02 OUTLIER 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.715 1.606 . . . . 0.0 106.706 -177.388 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 t -145.05 -179.99 6.98 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 p -128.75 -11.47 4.9 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.897 0.879 . . . . 0.0 108.69 -178.463 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.88 117.46 30.17 Favored 'General case' 0 C--N 1.367 1.352 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -173.054 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.11 124.87 0.76 Allowed Glycine 0 CA--C 1.486 -1.763 0 N-CA-C 106.339 -2.704 . . . . 0.0 106.339 -170.642 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -127.86 -149.5 0.41 Allowed 'General case' 0 C--N 1.358 0.968 0 N-CA-C 104.399 -2.445 . . . . 0.0 104.399 -170.249 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 p -155.09 175.81 13.35 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ttp -98.61 -128.26 0.18 Allowed 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.91 2.084 . . . . 0.0 107.213 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 -36.55 20.13 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.68 1.192 . . . . 0.0 114.008 175.186 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -140.46 -3.74 1.31 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-O 117.384 -1.293 . . . . 0.0 113.989 -166.069 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -145.07 148.22 33.44 Favored 'General case' 0 CA--C 1.492 -1.279 0 CA-C-N 122.02 2.191 . . . . 0.0 110.045 -174.385 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -126.48 176.73 6.95 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 -175.474 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 t -145.03 141.59 29.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -140.67 69.59 1.35 Allowed 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -165.097 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.258 1.547 0 C-N-CA 125.254 1.422 . . . . 0.0 111.06 -175.612 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.254 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -118.37 161.85 19.28 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.444 1.897 . . . . 0.0 107.542 -176.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 p -106.61 170.81 7.71 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.953 2.101 . . . . 0.0 107.268 174.346 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -146.69 52.56 1.1 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 6' ' ' SER . 1.2 t -93.33 -173.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.313 1.845 . . . . 0.0 107.461 170.707 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.528 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.8 p -114.96 130.48 56.93 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.07 1.348 . . . . 0.0 107.658 173.246 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.59 173.17 6.46 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 123.637 0.775 . . . . 0.0 111.768 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 p -123.25 -57.79 1.66 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 169.113 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 p -132.85 159.01 41.06 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 126.009 1.724 . . . . 0.0 107.251 -176.661 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 m -90.04 62.39 5.55 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.847 2.459 . . . . 0.0 111.181 175.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -165.45 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.267 1.827 . . . . 0.0 107.58 -178.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -38.69 86.17 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 129.629 3.172 . . . . 0.0 115.493 177.316 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -89.78 -20.6 23.33 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 127.582 2.353 . . . . 0.0 112.734 175.536 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.0 p -89.87 4.56 49.52 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.016 2.126 . . . . 0.0 111.863 171.126 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -94.9 -26.62 4.35 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 126.788 2.035 . . . . 0.0 108.696 173.029 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 m -69.3 -24.52 63.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.277 1.831 . . . . 0.0 114.833 165.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -89.96 -37.53 14.29 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.199 1.8 . . . . 0.0 112.306 -178.219 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.01 -23.16 36.13 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.641 1.976 . . . . 0.0 113.376 -174.415 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.98 -63.69 1.24 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.11 2.164 . . . . 0.0 109.714 175.138 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -101.84 -115.1 0.19 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.687 1.595 . . . . 0.0 108.192 -178.612 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.86 60.95 0.01 OUTLIER 'General case' 0 C--N 1.353 0.753 0 C-N-CA 125.571 1.548 . . . . 0.0 107.297 -177.31 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -145.02 -179.06 6.37 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 179.083 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 p -138.96 -13.63 1.21 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.433 0.693 . . . . 0.0 110.393 -172.678 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.03 123.79 38.71 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 176.437 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.78 158.66 22.29 Favored Glycine 0 CA--C 1.489 -1.57 0 N-CA-C 103.957 -3.657 . . . . 0.0 103.957 -166.396 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -144.96 -154.42 0.54 Allowed 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.08 177.7 11.03 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 174.253 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.0 ttm -107.63 -132.02 0.31 Allowed 'General case' 0 C--N 1.361 1.082 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -85.06 -35.68 21.69 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.337 1.455 . . . . 0.0 113.2 176.559 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.62 1.15 1.7 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.548 -1.215 . . . . 0.0 112.838 -170.648 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -145.02 154.12 42.2 Favored 'General case' 0 C--N 1.368 1.374 0 CA-C-N 121.897 2.135 . . . . 0.0 109.444 -173.09 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -138.77 175.64 9.38 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 172.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 t -145.03 143.72 30.63 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 -176.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -135.86 83.55 2.02 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -161.612 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.261 1.685 0 C-N-CA 125.744 1.618 . . . . 0.0 107.856 165.344 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.013 0 CA-C-O 121.485 0.659 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -125.4 163.81 21.81 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.359 1.864 . . . . 0.0 106.02 -176.646 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.38 172.02 7.24 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.318 1.447 . . . . 0.0 107.57 179.725 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -148.29 49.99 1.03 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 178.145 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -94.35 -176.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 125.582 1.553 . . . . 0.0 107.149 170.633 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.464 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.9 p -108.08 134.68 50.61 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.894 1.278 . . . . 0.0 107.86 172.794 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -104.15 170.84 7.67 Favored 'General case' 0 C--N 1.363 1.185 0 CA-C-O 121.421 0.629 . . . . 0.0 110.695 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 p -128.66 -51.38 1.25 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 167.844 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.7 p -126.05 156.86 39.28 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.932 1.693 . . . . 0.0 107.666 -176.403 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.2 m -90.0 79.88 6.48 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.108 2.163 . . . . 0.0 108.123 165.342 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -173.93 -42.49 0.01 OUTLIER 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.726 -2.324 . . . . 0.0 104.726 -167.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -65.95 -24.47 66.82 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 131.037 3.735 . . . . 0.0 116.135 177.711 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ABA . . . . . 0.493 ' HG1' ' HB3' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -84.59 -28.64 26.41 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 128.045 2.538 . . . . 0.0 112.6 176.535 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 p -90.02 -4.22 57.53 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.929 1.691 . . . . 0.0 111.339 175.604 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 t -96.64 -28.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 C-N-CA 125.701 1.6 . . . . 0.0 109.913 178.715 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -85.91 -16.25 39.1 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.208 1.003 . . . . 0.0 112.938 176.683 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -90.05 -32.98 16.5 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 125.67 1.588 . . . . 0.0 111.66 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.23 42.73 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.856 1.662 . . . . 0.0 113.276 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -90.14 -50.33 6.06 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 126.535 1.934 . . . . 0.0 110.588 178.451 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -118.97 -116.31 0.32 Allowed 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 -177.228 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -175.84 59.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -176.416 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -145.07 175.32 10.33 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 p -144.89 32.62 1.13 Allowed 'General case' 0 C--N 1.352 0.676 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -174.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.27 112.42 18.6 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 101.78 -3.415 . . . . 0.0 101.78 175.022 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.15 134.76 2.38 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 106.838 -2.505 . . . . 0.0 106.838 -170.57 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -145.09 161.57 39.12 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 102.745 -3.057 . . . . 0.0 102.745 -175.508 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.493 ' HB3' ' HG1' ' A' ' 13' ' ' ABA . 0.2 OUTLIER -118.78 173.14 7.05 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -174.641 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.3 ttt -106.73 -131.62 0.3 Allowed 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -85.06 -36.52 21.15 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.002 1.721 . . . . 0.0 113.486 175.47 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -135.43 -12.81 2.07 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.396 -1.288 . . . . 0.0 113.416 -168.39 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -137.61 156.94 47.5 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-N 121.489 1.95 . . . . 0.0 108.943 -168.185 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ABA . . . . . 0.446 ' HG3' ' HG2' ' A' ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -140.78 -177.14 4.93 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -178.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.85 155.84 43.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 -178.509 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -145.08 65.55 1.26 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -166.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.261 1.705 0 C-N-CA 124.978 1.311 . . . . 0.0 110.699 178.05 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.241 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -124.01 164.69 18.85 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.455 1.902 . . . . 0.0 106.238 -178.486 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p -106.81 -172.41 2.08 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.888 1.675 . . . . 0.0 108.285 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.51 52.3 0.59 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.068 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.75 -168.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.312 1.845 . . . . 0.0 107.243 176.767 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.551 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.1 p -113.49 133.65 55.11 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.54 1.536 . . . . 0.0 108.761 173.679 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -141.67 150.52 42.01 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.61 -48.44 1.16 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.765 2.026 . . . . 0.0 107.421 173.414 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -107.31 136.71 46.66 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.276 1.83 . . . . 0.0 109.709 -175.724 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 p -89.9 72.38 7.51 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.893 2.077 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -173.79 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.046 2.138 . . . . 0.0 106.899 -173.494 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.27 -44.17 97.14 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 129.865 3.266 . . . . 0.0 116.088 177.724 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -90.16 -18.39 25.87 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 126.916 2.086 . . . . 0.0 112.619 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.8 p -90.1 -0.13 57.44 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 127.214 2.206 . . . . 0.0 111.768 170.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.95 -32.76 4.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.253 0 C-N-CA 127.28 2.232 . . . . 0.0 109.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -82.07 -13.06 57.86 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 125.967 1.707 . . . . 0.0 112.953 171.022 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -89.87 -33.26 16.53 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.265 2.226 . . . . 0.0 111.706 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -24.42 24.87 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.719 2.008 . . . . 0.0 112.998 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.4 tp -90.05 -47.21 7.98 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.074 1.349 . . . . 0.0 110.728 177.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -115.94 -119.08 0.31 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -176.339 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.88 58.15 0.03 OUTLIER 'General case' 0 C--N 1.35 0.61 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.67 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -144.93 -172.94 3.95 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 p -135.98 -26.42 1.18 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 124.16 0.984 . . . . 0.0 108.734 178.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 123.56 38.4 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -173.848 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.83 107.52 0.21 Allowed Glycine 0 CA--C 1.489 -1.569 0 N-CA-C 105.341 -3.104 . . . . 0.0 105.341 -163.135 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.13 -140.53 0.38 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.616 2.366 . . . . 0.0 106.636 -166.237 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 p -155.13 175.32 13.99 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 121.429 0.633 . . . . 0.0 110.208 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.55 -122.52 0.13 Allowed 'General case' 0 C--N 1.366 1.323 0 C-N-CA 127.044 2.138 . . . . 0.0 107.682 173.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -85.14 -41.21 15.9 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.705 1.602 . . . . 0.0 113.57 179.027 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -139.58 -9.64 1.23 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -166.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -141.11 152.82 45.06 Favored 'General case' 0 CA--C 1.491 -1.317 0 CA-C-N 121.728 2.058 . . . . 0.0 109.109 -171.072 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -129.39 -178.1 4.53 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 105.11 -2.181 . . . . 0.0 105.11 175.838 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.7 138.74 27.48 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 -178.423 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -140.42 68.77 1.35 Allowed 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -161.741 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--O 1.262 1.75 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 174.542 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.251 0 CA-C-O 120.992 0.425 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -126.3 -40.03 2.0 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.465 1.906 . . . . 0.0 106.894 175.573 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -143.65 172.54 12.67 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 127.5 2.32 . . . . 0.0 105.256 -171.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -149.16 54.02 0.97 Allowed 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 6' ' ' SER . 1.2 t -99.06 -172.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.371 0 C-N-CA 126.125 1.77 . . . . 0.0 106.69 174.515 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.524 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.0 p -110.87 131.84 54.71 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.173 1.389 . . . . 0.0 108.361 173.734 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -141.37 149.2 40.81 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 122.075 0.941 . . . . 0.0 108.787 -179.775 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 p -131.48 -47.23 0.98 Allowed 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.465 1.906 . . . . 0.0 107.639 173.756 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -104.32 130.56 52.15 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 126.706 2.002 . . . . 0.0 109.167 -177.599 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.4 p -88.0 75.85 8.69 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.729 2.012 . . . . 0.0 110.409 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -173.06 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.025 2.13 . . . . 0.0 105.521 -178.347 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -56.89 -43.58 81.43 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 129.731 3.212 . . . . 0.0 116.803 178.37 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -90.08 -21.27 22.38 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.963 2.105 . . . . 0.0 112.32 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 p -89.9 6.35 42.35 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.357 2.263 . . . . 0.0 111.407 171.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.66 -40.88 11.39 Favored 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 127.492 2.317 . . . . 0.0 107.732 173.14 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 m -59.6 -26.78 65.73 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.553 2.341 . . . . 0.0 116.047 169.584 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -89.71 -34.43 16.23 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.854 1.662 . . . . 0.0 112.961 177.61 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -29.46 53.04 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.459 2.303 . . . . 0.0 113.833 -177.531 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.94 -63.07 1.33 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.719 2.408 . . . . 0.0 109.151 178.343 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -104.05 -114.36 0.23 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.467 1.507 . . . . 0.0 108.359 -178.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 179.56 60.3 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.263 1.425 . . . . 0.0 108.285 -176.666 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -144.94 177.88 8.43 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 177.654 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.2 m -141.72 17.29 2.16 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -173.445 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -106.71 119.95 40.69 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 171.043 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.06 134.6 3.38 Favored Glycine 0 CA--C 1.489 -1.563 0 N-CA-C 105.693 -2.963 . . . . 0.0 105.693 -170.659 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -145.07 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 102.517 -3.142 . . . . 0.0 102.517 174.232 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -124.89 172.57 9.26 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 108.151 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -122.72 0.14 Allowed 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.65 1.58 . . . . 0.0 108.22 -176.237 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -85.34 -39.22 17.9 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.815 1.646 . . . . 0.0 113.366 179.127 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -139.12 -15.91 1.1 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.363 -1.303 . . . . 0.0 114.047 -162.878 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -145.02 152.4 40.08 Favored 'General case' 0 CA--C 1.492 -1.277 0 CA-C-N 121.561 1.982 . . . . 0.0 109.474 -166.107 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -135.3 173.5 11.65 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 171.044 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -139.09 155.4 47.94 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 103.159 -2.904 . . . . 0.0 103.159 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -142.98 67.84 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -160.862 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.26 1.607 0 C-N-CA 124.946 1.299 . . . . 0.0 111.455 178.216 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -141.02 53.9 1.57 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.8 -170.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.14 2.176 . . . . 0.0 106.581 174.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.575 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.9 p -114.46 131.69 56.52 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.498 1.519 . . . . 0.0 108.343 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -139.75 150.34 44.67 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 121.989 0.899 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -127.25 -49.79 1.43 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.958 2.103 . . . . 0.0 108.021 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 p -108.46 133.76 52.17 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.124 1.77 . . . . 0.0 109.033 -176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 p -87.48 74.21 9.37 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.171 1.788 . . . . 0.0 111.231 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -172.54 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.207 2.203 . . . . 0.0 105.99 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 . . . . . 0 C--N 1.372 1.573 0 C-N-CA 131.096 3.758 . . . . 0.0 117.999 174.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 m0 . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 p -90.21 -0.2 57.5 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 127.384 2.274 . . . . 0.0 110.751 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.04 -37.08 7.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.394 0 C-N-CA 126.857 2.063 . . . . 0.0 108.387 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.13 -21.76 64.91 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 127.605 2.362 . . . . 0.0 114.57 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -50.08 6.9 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.769 2.428 . . . . 0.0 111.949 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.17 -24.74 60.6 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.549 2.74 . . . . 0.0 115.241 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -54.47 4.04 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.255 2.222 . . . . 0.0 110.47 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.06 -112.18 0.27 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.824 1.65 . . . . 0.0 107.041 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -179.88 60.52 0.01 OUTLIER 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.491 1.516 . . . . 0.0 107.189 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -144.87 179.67 7.18 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -144.98 20.07 1.61 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -176.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.04 121.44 44.98 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.55 139.48 5.39 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 104.923 -3.271 . . . . 0.0 104.923 -170.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -145.02 159.43 42.96 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 101.406 -3.553 . . . . 0.0 101.406 173.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.7 p -122.76 170.68 9.82 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 ttt -99.03 -122.1 0.14 Allowed 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.458 1.503 . . . . 0.0 108.819 -168.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -86.13 -41.55 14.63 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.978 1.711 . . . . 0.0 112.695 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -144.72 -1.06 0.9 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 117.308 -1.329 . . . . 0.0 113.283 -168.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 CA--C 1.49 -1.352 0 CA-C-N 122.313 2.324 . . . . 0.0 109.891 -169.748 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 . . . . . 0 N--CA 1.445 -0.7 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.49 149.14 35.46 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.13 -2.545 . . . . 0.0 104.13 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -143.99 62.84 1.35 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 -162.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.26 1.618 0 C-N-CA 124.492 1.117 . . . . 0.0 108.47 177.26 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -128.07 49.88 2.12 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.63 158.18 3.76 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 129.032 2.933 . . . . 0.0 104.314 172.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -95.2 135.29 36.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.9 1.28 . . . . 0.0 109.713 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -134.75 147.72 50.08 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 122.299 1.047 . . . . 0.0 109.096 -172.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -128.32 -46.03 1.35 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.311 2.245 . . . . 0.0 107.871 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 p -107.89 139.65 42.18 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 125.586 1.554 . . . . 0.0 110.591 -171.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 p -89.91 85.21 6.3 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.031 1.733 . . . . 0.0 108.734 170.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -177.36 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.353 0.756 0 N-CA-C 103.53 -2.767 . . . . 0.0 103.53 -169.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.367 1.337 0 C-N-CA 131.264 3.826 . . . . 0.0 117.104 -178.002 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 CA--C 1.516 -0.344 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 p -89.79 -8.47 52.05 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.476 1.911 . . . . 0.0 111.31 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 t -98.64 -25.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 125.346 1.458 . . . . 0.0 109.655 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 m -84.19 -19.84 33.37 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 124.56 1.144 . . . . 0.0 112.432 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -89.92 -35.21 15.72 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.052 2.141 . . . . 0.0 112.677 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -85.8 -20.19 29.57 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.525 1.93 . . . . 0.0 113.291 -177.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.9 -63.16 1.32 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.224 2.21 . . . . 0.0 109.261 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -101.83 -114.09 0.2 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 125.736 1.615 . . . . 0.0 107.808 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.7 59.38 0.01 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -145.07 174.45 11.04 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.1 p -145.14 36.18 1.11 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.01 117.51 10.84 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 173.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.83 129.47 1.07 Allowed Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 106.556 -2.617 . . . . 0.0 106.556 -172.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -125.83 -145.61 0.33 Allowed 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -154.53 174.23 15.21 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.21 -121.92 0.13 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.72 2.008 . . . . 0.0 108.141 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -85.37 -42.15 14.82 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.31 1.444 . . . . 0.0 112.95 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mmmp? -144.82 -2.36 0.83 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.48 -1.248 . . . . 0.0 114.024 -166.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt . . . . . 0 CA--C 1.489 -1.381 0 CA-C-N 121.912 2.142 . . . . 0.0 108.776 -178.516 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 . . . . . 0 N--CA 1.44 -0.945 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.91 138.2 26.76 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -136.3 69.91 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 -161.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.26 1.617 0 C-N-CA 125.182 1.393 . . . . 0.0 109.978 179.798 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -144.82 54.7 1.24 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.21 -171.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 126.729 2.011 . . . . 0.0 106.546 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.521 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.8 p -109.97 132.67 53.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.156 1.383 . . . . 0.0 108.17 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -135.36 149.99 49.83 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 122.262 1.03 . . . . 0.0 109.726 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -127.64 -47.39 1.41 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.373 2.269 . . . . 0.0 107.601 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 p -109.3 132.35 54.2 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.813 2.045 . . . . 0.0 110.06 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -89.89 80.33 6.48 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 126.28 1.832 . . . . 0.0 109.885 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -175.61 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.032 2.533 . . . . 0.0 104.71 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--N 1.371 1.501 0 C-N-CA 129.929 3.291 . . . . 0.0 115.361 172.486 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.4 m95 . . . . . 0 CA--C 1.522 -0.115 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.96 -6.0 56.13 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.458 2.303 . . . . 0.0 111.389 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.9 t -97.79 -34.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 125.942 1.697 . . . . 0.0 109.621 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 m -73.46 -18.78 61.09 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 126.576 1.95 . . . . 0.0 114.436 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -47.76 7.94 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.318 2.247 . . . . 0.0 111.054 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.82 3.248 . . . . 0.0 115.922 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.34 -66.25 0.94 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 126.309 1.844 . . . . 0.0 110.254 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -103.05 -110.6 0.24 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.085 1.754 . . . . 0.0 108.127 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -178.85 63.92 0.01 OUTLIER 'General case' 0 C--N 1.353 0.724 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -145.02 -175.56 4.74 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -128.35 -20.28 3.72 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.308 1.443 . . . . 0.0 107.77 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -94.97 122.81 38.01 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 -167.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.89 1.99 Allowed Glycine 0 CA--C 1.488 -1.648 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 -166.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -145.01 158.13 43.91 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 -174.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 p -118.35 169.74 9.49 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 124.295 1.038 . . . . 0.0 108.91 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -100.07 -119.68 0.15 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 125.468 1.507 . . . . 0.0 108.168 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -85.0 -39.51 17.97 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.713 1.205 . . . . 0.0 114.189 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -138.34 -19.42 1.1 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -162.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 CA--C 1.491 -1.304 0 CA-C-N 121.479 1.945 . . . . 0.0 108.854 -167.283 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 . . . . . 0 CA--C 1.508 -0.639 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.89 150.47 37.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -144.37 75.11 1.45 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.26 1.642 0 C-N-CA 124.887 1.275 . . . . 0.0 108.975 176.786 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -150.4 55.43 0.92 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -102.85 -167.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.23 0 C-N-CA 126.251 1.82 . . . . 0.0 106.278 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.568 ' H ' HG12 ' A' ' 5' ' ' VAL . 9.2 p -114.03 134.76 54.64 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.326 1.451 . . . . 0.0 108.593 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.66 150.74 42.31 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-O 121.822 0.82 . . . . 0.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.94 -48.34 1.13 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.544 1.938 . . . . 0.0 107.637 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 p -107.83 133.9 51.54 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.366 1.866 . . . . 0.0 109.332 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -89.38 72.04 8.06 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.505 1.922 . . . . 0.0 110.712 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -168.21 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.355 0.825 0 C-N-CA 127.789 2.436 . . . . 0.0 106.838 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--N 1.374 1.669 0 C-N-CA 129.245 3.018 . . . . 0.0 115.948 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.2 m0 . . . . . 0 CA--C 1.524 -0.054 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 p -90.05 -0.56 57.65 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.091 2.156 . . . . 0.0 111.129 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -95.12 -33.24 4.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 127.577 2.351 . . . . 0.0 109.176 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 m -80.86 -14.67 57.81 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.896 1.678 . . . . 0.0 113.132 170.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -87.88 -55.08 3.92 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 127.027 2.131 . . . . 0.0 112.005 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -79.13 -14.06 59.35 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 126.702 2.001 . . . . 0.0 114.587 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.3 tp -89.97 -48.35 7.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.096 1.758 . . . . 0.0 110.606 174.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.78 -115.16 0.33 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -173.98 58.32 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -145.06 -178.96 6.31 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -129.28 -15.36 4.14 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.297 1.439 . . . . 0.0 107.641 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.99 123.31 38.39 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 125.938 1.695 . . . . 0.0 107.429 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.15 146.86 5.63 Favored Glycine 0 CA--C 1.486 -1.738 0 N-CA-C 104.588 -3.405 . . . . 0.0 104.588 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -135.79 -151.34 0.41 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -155.05 175.24 14.08 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 168.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.94 -123.27 0.15 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.303 1.841 . . . . 0.0 107.175 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -84.86 -41.29 16.17 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.753 1.621 . . . . 0.0 113.579 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -144.97 -1.56 0.85 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.506 -1.235 . . . . 0.0 113.636 -164.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 pttm . . . . . 0 CA--C 1.487 -1.457 0 CA-C-N 121.58 1.991 . . . . 0.0 109.306 -175.638 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 N--CA 1.443 -0.812 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.99 139.43 27.48 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -142.41 68.13 1.32 Allowed 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 -163.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.259 1.571 0 C-N-CA 124.858 1.263 . . . . 0.0 108.219 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.17 45.48 2.61 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.415 1.486 . . . . 0.0 107.369 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.9 t -102.91 157.33 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 C-N-CA 128.681 2.793 . . . . 0.0 104.278 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -94.87 139.37 31.4 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 125.063 1.345 . . . . 0.0 110.889 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 t -144.62 148.48 34.37 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 122.078 0.942 . . . . 0.0 108.47 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -128.59 -45.12 1.34 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.173 2.189 . . . . 0.0 107.995 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 p -111.29 139.51 46.62 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 125.923 1.689 . . . . 0.0 109.675 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 t -89.93 80.79 6.37 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.749 2.02 . . . . 0.0 109.18 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -177.25 -39.25 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.584 2.354 . . . . 0.0 104.85 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 C--N 1.37 1.481 0 C-N-CA 131.105 3.762 . . . . 0.0 117.739 176.532 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 p -90.12 0.66 57.04 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.273 2.229 . . . . 0.0 111.826 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -95.05 -28.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 126.354 1.862 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.9 m -85.67 -9.1 57.72 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 124.85 1.26 . . . . 0.0 112.54 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -89.83 -34.93 15.95 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.476 2.31 . . . . 0.0 111.403 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -84.99 -26.79 26.89 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 127.31 2.244 . . . . 0.0 112.818 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.9 tp -89.91 -45.47 9.21 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.646 1.578 . . . . 0.0 110.614 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -116.6 -118.12 0.32 Allowed 'General case' 0 C--N 1.363 1.153 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -173.86 59.34 0.02 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.88 -170.71 3.47 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 105.823 -1.918 . . . . 0.0 105.823 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -132.84 -32.13 1.27 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 124.935 1.294 . . . . 0.0 108.471 -172.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 124.27 38.83 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.702 1.601 . . . . 0.0 107.701 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.49 104.63 0.18 Allowed Glycine 0 CA--C 1.49 -1.482 0 N-CA-C 105.811 -2.916 . . . . 0.0 105.811 -166.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -108.72 -147.83 0.42 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.06 2.944 . . . . 0.0 106.48 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -154.94 175.15 14.16 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.816 0.817 . . . . 0.0 110.173 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 -124.74 0.11 Allowed 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.824 2.45 . . . . 0.0 106.746 171.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -86.69 -38.14 17.28 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.368 1.467 . . . . 0.0 114.011 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mmmp? -142.19 -7.28 0.92 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.021 -1.466 . . . . 0.0 114.338 -162.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.9 pttt . . . . . 0 CA--C 1.491 -1.316 0 CA-C-N 122.38 2.355 . . . . 0.0 109.423 177.363 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.95 141.94 29.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -144.41 64.94 1.29 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -162.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.615 0 C-N-CA 125.075 1.35 . . . . 0.0 108.226 -177.842 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.94 49.29 0.99 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -93.87 -176.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 126.207 1.803 . . . . 0.0 106.911 170.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' HG12 ' A' ' 5' ' ' VAL . 5.7 p -110.19 134.93 51.72 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -102.86 172.04 7.05 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.75 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.7 p -126.45 -56.11 1.42 Allowed 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 165.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 p -128.23 159.74 34.28 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 124.715 1.206 . . . . 0.0 108.964 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 t -90.07 83.38 6.07 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.714 2.806 . . . . 0.0 107.61 166.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttp 179.75 -45.94 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.981 -2.599 . . . . 0.0 103.981 -174.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--N 1.367 1.342 0 C-N-CA 129.369 3.067 . . . . 0.0 115.542 -173.497 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.2 m0 . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.9 p -90.04 3.78 52.2 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 127.06 2.144 . . . . 0.0 111.223 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.05 -30.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.481 2.312 . . . . 0.0 108.8 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.9 m -71.02 -19.85 62.46 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 125.74 1.616 . . . . 0.0 115.158 166.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -87.38 -40.67 14.21 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.781 2.032 . . . . 0.0 112.026 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -80.41 -20.22 44.45 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.232 2.213 . . . . 0.0 113.583 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.99 -65.47 1.01 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.568 2.347 . . . . 0.0 109.28 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -100.31 -113.7 0.18 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.806 1.642 . . . . 0.0 108.364 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -175.86 56.8 0.01 OUTLIER 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 t -145.01 -172.89 3.94 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 p -131.62 -33.0 1.45 Allowed 'General case' 0 C--N 1.359 1.001 0 C-N-CA 125.391 1.476 . . . . 0.0 107.984 -173.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 123.55 38.41 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 125.433 1.493 . . . . 0.0 107.764 -169.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.64 130.62 1.14 Allowed Glycine 0 CA--C 1.484 -1.892 0 N-CA-C 105.953 -2.859 . . . . 0.0 105.953 -164.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -126.29 -141.6 0.28 Allowed 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 -166.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.1 -179.85 8.46 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.3 ttt -98.83 -125.85 0.16 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.948 1.699 . . . . 0.0 107.181 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -85.45 -39.62 17.32 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.977 1.711 . . . . 0.0 113.219 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -137.53 -10.87 1.62 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.393 -1.289 . . . . 0.0 114.202 -165.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.487 -1.464 0 CA-C-N 121.607 2.003 . . . . 0.0 108.299 -170.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 CA--C 1.502 -0.875 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.18 154.87 42.88 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 176.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -142.6 61.2 1.43 Allowed 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.258 1.55 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 173.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -145.56 54.24 1.18 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.591 HG12 ' H ' ' A' ' 6' ' ' SER . 1.9 t -103.64 -169.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.234 0 C-N-CA 127.135 2.174 . . . . 0.0 105.667 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.591 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -114.08 129.53 56.61 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.33 1.452 . . . . 0.0 107.96 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -137.55 151.8 48.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.16 0.981 . . . . 0.0 109.848 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 p -125.8 -44.57 1.79 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 127.393 2.277 . . . . 0.0 108.794 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.2 p -112.57 138.76 48.88 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.166 1.786 . . . . 0.0 111.117 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -86.79 84.45 7.36 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.759 2.024 . . . . 0.0 108.705 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -178.7 -39.18 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 127.815 2.446 . . . . 0.0 104.535 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.369 1.444 0 C-N-CA 129.171 2.988 . . . . 0.0 115.784 178.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 . . . . . 0 CA--C 1.52 -0.194 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 p -90.08 -7.83 52.86 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.389 2.276 . . . . 0.0 111.789 170.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.97 -29.02 4.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.391 0 C-N-CA 126.626 1.971 . . . . 0.0 109.498 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -78.51 -22.87 46.74 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 125.954 1.702 . . . . 0.0 112.518 170.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -89.19 -32.43 17.46 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.172 2.189 . . . . 0.0 111.599 -174.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.73 -25.91 32.45 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.204 1.802 . . . . 0.0 112.815 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -90.05 -50.73 5.85 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.903 2.081 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -118.22 -116.19 0.32 Allowed 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -172.07 59.17 0.03 OUTLIER 'General case' 0 C--N 1.354 0.777 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.95 160.13 41.82 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 -175.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 p -119.5 -18.0 8.58 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.695 1.998 . . . . 0.0 107.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 108.97 21.09 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.329 1.852 . . . . 0.0 106.8 -169.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.7 126.54 0.91 Allowed Glycine 0 CA--C 1.486 -1.757 0 N-CA-C 106.611 -2.596 . . . . 0.0 106.611 -166.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -127.06 -149.48 0.41 Allowed 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -169.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.02 172.96 17.25 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 32.6 ttm -99.38 -121.23 0.15 Allowed 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.224 1.81 . . . . 0.0 108.112 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -85.03 -43.2 14.15 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.616 1.567 . . . . 0.0 112.838 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -140.93 -6.55 1.1 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.562 -1.208 . . . . 0.0 113.972 -165.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 pttm . . . . . 0 CA--C 1.49 -1.354 0 CA-C-N 121.566 1.985 . . . . 0.0 108.842 -169.069 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 . . . . . 0 CA--C 1.505 -0.752 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -135.19 152.49 51.62 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 169.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -139.39 56.77 1.66 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -160.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.262 1.711 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 165.403 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -141.87 45.31 1.69 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.2 t -94.99 163.49 2.26 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 C-N-CA 128.769 2.828 . . . . 0.0 105.135 170.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 p -95.57 139.86 31.22 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.144 1.378 . . . . 0.0 110.086 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -136.18 151.35 49.63 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 122.034 0.921 . . . . 0.0 109.046 -174.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -123.34 -54.06 1.79 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.125 2.17 . . . . 0.0 108.277 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -111.44 144.2 41.04 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.259 1.824 . . . . 0.0 109.581 -171.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 p -89.88 77.19 7.01 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 125.825 1.65 . . . . 0.0 110.177 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -173.19 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.832 0 C-N-CA 129.668 3.187 . . . . 0.0 105.305 -174.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.371 1.507 0 C-N-CA 129.391 3.076 . . . . 0.0 116.333 175.467 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 p -90.03 2.61 54.99 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.179 1.792 . . . . 0.0 111.738 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -103.9 -31.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 125.631 1.572 . . . . 0.0 109.814 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.5 m -87.5 -18.52 29.65 Favored 'General case' 0 C--N 1.374 1.655 0 CA-C-N 119.79 1.177 . . . . 0.0 113.428 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -89.17 -28.98 19.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.44 1.496 . . . . 0.0 111.438 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.53 -29.02 33.69 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 127.009 2.124 . . . . 0.0 112.921 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.1 -48.26 7.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.761 1.625 . . . . 0.0 110.959 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -122.38 -116.59 0.3 Allowed 'General case' 0 C--N 1.361 1.1 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -173.09 57.77 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -145.23 173.56 11.84 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 p -132.3 0.79 3.76 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 124.895 1.278 . . . . 0.0 108.7 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 108.77 21.21 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.38 127.11 1.03 Allowed Glycine 0 CA--C 1.489 -1.591 0 N-CA-C 107.701 -2.16 . . . . 0.0 107.701 -170.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -144.97 157.35 44.16 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 102.572 -3.121 . . . . 0.0 102.572 -172.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.48 171.85 7.2 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.148 1.379 . . . . 0.0 110.556 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 ttt -96.7 -123.17 0.12 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.698 1.999 . . . . 0.0 108.65 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -84.91 -38.22 19.64 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 126.196 1.799 . . . . 0.0 113.792 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -133.02 -24.7 1.87 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -163.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.4 pttt . . . . . 0 CA--C 1.492 -1.284 0 CA-C-N 120.644 1.565 . . . . 0.0 108.892 -163.358 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.57 151.79 39.58 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.17 -2.53 . . . . 0.0 104.17 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -141.21 64.42 1.42 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 -161.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--O 1.256 1.432 0 C-N-CA 124.954 1.302 . . . . 0.0 107.999 175.53 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -129.53 49.15 2.29 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.678 1.591 . . . . 0.0 106.719 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.46 155.91 4.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 C-N-CA 128.765 2.826 . . . . 0.0 104.152 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -95.13 136.06 35.93 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.058 1.343 . . . . 0.0 110.782 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.5 t -141.97 149.16 39.72 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 122.077 0.941 . . . . 0.0 108.617 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 p -132.08 -47.86 0.93 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.653 1.981 . . . . 0.0 106.84 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 p -99.93 127.73 46.09 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.863 2.065 . . . . 0.0 109.441 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.7 p -88.7 72.72 8.63 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 127.221 2.209 . . . . 0.0 111.369 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -177.64 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.444 2.298 . . . . 0.0 106.674 -175.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.371 1.511 0 C-N-CA 129.001 2.92 . . . . 0.0 115.867 178.049 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.9 m0 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 p -90.05 -0.88 57.83 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.607 2.363 . . . . 0.0 111.09 171.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.07 -41.67 12.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 126.377 1.871 . . . . 0.0 108.564 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.36 -8.79 57.44 Favored 'General case' 0 C--N 1.367 1.353 0 C-N-CA 125.916 1.686 . . . . 0.0 114.878 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.98 -52.6 4.88 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 127.098 2.159 . . . . 0.0 111.067 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -77.41 -16.24 58.93 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.458 2.703 . . . . 0.0 114.829 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.88 -63.51 1.27 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.784 2.034 . . . . 0.0 108.988 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -99.66 -112.32 0.18 Allowed 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.778 1.631 . . . . 0.0 108.873 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 p30 178.3 63.73 0.01 OUTLIER 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.297 1.439 . . . . 0.0 107.33 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -145.01 -175.93 4.89 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 p -128.0 -30.43 2.46 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.511 1.125 . . . . 0.0 108.503 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.82 121.63 36.61 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.114 1.765 . . . . 0.0 107.063 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.55 103.07 0.16 Allowed Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 105.753 -2.939 . . . . 0.0 105.753 -167.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -109.86 -139.46 0.38 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.776 2.43 . . . . 0.0 106.689 -167.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 p -155.01 174.45 15.16 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-O 121.728 0.775 . . . . 0.0 109.892 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ttt -99.32 -121.56 0.15 Allowed 'General case' 0 C--N 1.363 1.192 0 C-N-CA 127.211 2.204 . . . . 0.0 107.973 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -84.81 -42.22 15.34 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.227 1.811 . . . . 0.0 113.204 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.6 -10.79 1.38 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.736 -1.126 . . . . 0.0 113.866 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 CA--C 1.496 -1.126 0 CA-C-N 121.511 1.96 . . . . 0.0 109.395 -170.2 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 . . . . . 0 N--CA 1.444 -0.762 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.93 145.17 31.44 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 -169.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -143.87 59.66 1.37 Allowed 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -162.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.259 1.561 0 C-N-CA 125.177 1.391 . . . . 0.0 108.298 -178.809 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -131.62 51.36 2.15 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.528 1.531 . . . . 0.0 107.165 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -102.56 157.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 C-N-CA 128.54 2.736 . . . . 0.0 104.637 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -94.96 134.41 37.66 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.856 1.262 . . . . 0.0 110.464 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -141.48 149.75 41.33 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 122.293 1.044 . . . . 0.0 108.878 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -130.81 -46.92 1.04 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.128 2.171 . . . . 0.0 107.474 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -104.3 133.02 49.9 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.498 1.919 . . . . 0.0 109.607 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -85.99 76.5 9.82 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.796 2.038 . . . . 0.0 110.711 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.18 -46.79 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -175.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.37 1.479 0 C-N-CA 130.061 3.344 . . . . 0.0 116.986 -175.163 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m0 . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -89.76 10.57 22.97 Favored 'General case' 0 C--N 1.371 1.531 0 C-N-CA 127.313 2.245 . . . . 0.0 111.484 172.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.13 -42.68 12.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.273 0 C-N-CA 127.333 2.253 . . . . 0.0 106.989 169.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.91 2.17 31.77 Favored 'General case' 0 C--N 1.366 1.291 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -89.79 -44.49 9.93 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 124.994 1.317 . . . . 0.0 110.989 170.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.38 -16.68 41.94 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.35 1.86 . . . . 0.0 113.628 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -90.07 -68.2 0.8 Allowed 'General case' 0 C--N 1.365 1.265 0 C-N-CA 127.6 2.36 . . . . 0.0 109.308 171.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -104.13 -114.65 0.23 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 125.907 1.683 . . . . 0.0 108.229 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -178.13 82.18 0.02 OUTLIER 'General case' 0 C--N 1.354 0.766 0 C-N-CA 126.056 1.742 . . . . 0.0 106.682 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -134.11 176.57 8.47 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 p -144.96 28.78 1.23 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 162.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.7 126.4 22.12 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.48 156.18 26.38 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 105.006 -3.238 . . . . 0.0 105.006 -172.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -145.01 174.73 10.78 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 p -137.68 173.19 11.91 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 ttt -101.73 -122.13 0.17 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.602 1.561 . . . . 0.0 109.0 -171.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -85.03 -37.9 19.82 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.725 1.61 . . . . 0.0 112.933 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -139.12 -16.46 1.08 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.781 -1.58 . . . . 0.0 114.069 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 pttp . . . . . 0 C--N 1.366 1.296 0 CA-C-N 122.325 2.33 . . . . 0.0 110.49 -164.745 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 . . . . . 0 CA--C 1.506 -0.723 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 t -144.06 135.25 25.55 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 -171.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -139.27 83.96 1.97 Allowed 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -163.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 C--O 1.259 1.566 0 C-N-CA 124.914 1.286 . . . . 0.0 110.946 -179.048 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -148.13 57.25 1.08 Allowed 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 6' ' ' SER . 1.3 t -99.64 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.32 0 C-N-CA 126.451 1.9 . . . . 0.0 106.811 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.526 ' H ' HG12 ' A' ' 5' ' ' VAL . 11.3 p -109.13 133.13 53.41 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.458 1.503 . . . . 0.0 108.841 173.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -140.51 150.64 43.98 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.11 -47.89 1.01 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.141 1.776 . . . . 0.0 107.252 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -104.79 130.1 52.94 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.595 1.958 . . . . 0.0 108.736 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -88.83 77.67 7.75 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.397 1.879 . . . . 0.0 109.651 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -171.98 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.355 0.82 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--N 1.37 1.489 0 C-N-CA 131.337 3.855 . . . . 0.0 117.087 178.814 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m0 . . . . . 0 C--O 1.231 0.084 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -90.14 -2.07 58.03 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 127.526 2.33 . . . . 0.0 111.263 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.4 t -95.0 -30.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 C-N-CA 127.026 2.13 . . . . 0.0 108.936 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.6 m -74.05 -16.7 61.04 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.785 1.634 . . . . 0.0 114.496 168.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -87.18 -52.86 5.17 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.228 2.211 . . . . 0.0 111.858 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -81.24 -9.51 59.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 127.145 2.178 . . . . 0.0 114.972 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -90.01 -64.78 1.09 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 127.012 2.125 . . . . 0.0 109.072 170.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -99.45 -112.94 0.17 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.32 1.848 . . . . 0.0 108.252 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -176.47 59.04 0.01 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -144.99 178.97 7.66 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -145.11 19.0 1.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.62 124.11 44.45 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 103.719 -2.696 . . . . 0.0 103.719 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.43 122.12 0.67 Allowed Glycine 0 CA--C 1.481 -2.066 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -117.37 -143.25 0.37 Allowed 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.305 2.242 . . . . 0.0 105.35 -169.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -155.13 174.49 15.12 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 ttt -96.16 -125.48 0.13 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.138 2.175 . . . . 0.0 107.42 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -86.18 -38.29 17.83 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.46 1.504 . . . . 0.0 113.576 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -134.4 -14.8 2.23 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.6 pttt . . . . . 0 C--N 1.362 1.149 0 CA-C-N 121.567 1.985 . . . . 0.0 110.565 -167.047 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 CA--C 1.505 -0.756 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -145.01 130.63 18.92 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -134.03 63.77 1.62 Allowed 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 125.532 1.533 . . . . 0.0 107.327 -160.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 C--O 1.258 1.543 0 C-N-CA 124.561 1.144 . . . . 0.0 109.909 177.282 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.448 -0.546 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -141.01 51.39 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.604 HG12 ' H ' ' A' ' 6' ' ' SER . 1.8 t -94.08 -169.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 127.048 2.139 . . . . 0.0 107.156 172.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.604 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.8 p -115.61 133.45 56.02 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.419 1.487 . . . . 0.0 108.075 174.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -142.95 148.94 37.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p -130.41 -48.39 1.08 Allowed 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.41 1.884 . . . . 0.0 107.168 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -101.35 131.39 47.44 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 126.483 1.913 . . . . 0.0 109.782 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 p -88.82 71.78 8.62 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 127.114 2.166 . . . . 0.0 110.974 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.1 -41.81 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -174.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.371 1.518 0 C-N-CA 129.923 3.289 . . . . 0.0 117.352 -179.164 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m0 . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.3 p -89.98 0.89 56.85 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.077 2.151 . . . . 0.0 111.459 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -94.91 -29.83 4.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.046 2.138 . . . . 0.0 108.72 176.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.469 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 74.7 m -75.57 -16.63 60.23 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.545 1.538 . . . . 0.0 113.856 166.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -90.01 -43.48 10.5 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 125.221 1.408 . . . . 0.0 112.764 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -90.06 -14.37 33.96 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 126.086 1.754 . . . . 0.0 114.307 -173.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.85 -63.24 1.31 Allowed 'General case' 0 C--N 1.365 1.264 0 C-N-CA 126.6 1.96 . . . . 0.0 108.975 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.581 ' HE1' ' SG ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -104.73 -113.27 0.24 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 175.551 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -177.17 65.25 0.02 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.315 0.961 . . . . 0.0 108.757 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 t -145.11 -166.91 2.54 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.2 m -134.63 -33.05 0.98 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.569 1.548 . . . . 0.0 107.853 -173.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.9 125.27 39.45 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 124.673 1.189 . . . . 0.0 107.847 -168.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.38 133.98 1.68 Allowed Glycine 0 CA--C 1.484 -1.863 0 N-CA-C 106.321 -2.712 . . . . 0.0 106.321 -162.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -133.63 -140.35 0.19 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -169.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 p -155.1 179.28 9.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.3 ttm -96.16 -126.18 0.13 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.029 2.131 . . . . 0.0 107.27 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.51 -38.72 16.95 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.579 1.552 . . . . 0.0 113.432 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mmmp? -142.37 -1.52 1.17 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.45 -165.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 pttp . . . . . 0 CA--C 1.492 -1.277 0 CA-C-N 122.172 2.26 . . . . 0.0 110.269 -178.497 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 . . . . . 0 CA--C 1.502 -0.874 0 N-CA-C 104.254 -2.499 . . . . 0.0 104.254 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.581 ' SG ' ' HE1' ' A' ' 21' ' ' HIS . 2.4 t -145.05 140.66 28.26 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -133.13 67.37 1.53 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 -162.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.262 1.72 0 C-N-CA 126.013 1.725 . . . . 0.0 111.135 -173.726 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -146.86 52.67 1.09 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -95.98 -172.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 126.584 1.954 . . . . 0.0 106.769 172.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.543 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -112.72 132.85 55.02 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.018 1.327 . . . . 0.0 107.534 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.8 p -104.31 167.07 9.99 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 123.432 0.693 . . . . 0.0 111.48 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -131.38 -52.56 1.02 Allowed 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 168.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -123.59 158.23 31.91 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.016 1.727 . . . . 0.0 108.474 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 p -90.02 80.62 6.34 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.986 2.114 . . . . 0.0 109.959 163.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -171.57 -36.73 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 C--N 1.368 1.412 0 C-N-CA 130.685 3.594 . . . . 0.0 116.992 175.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 . . . . . 0 CA--C 1.513 -0.467 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.83 -7.03 55.25 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.067 1.747 . . . . 0.0 111.303 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.99 -31.25 4.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 C-N-CA 125.496 1.518 . . . . 0.0 109.851 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -84.84 -17.69 37.23 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.953 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -89.8 -33.36 16.55 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.173 2.189 . . . . 0.0 111.982 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -27.45 29.26 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 125.964 1.705 . . . . 0.0 112.517 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 tp -89.77 -45.35 9.35 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.692 1.997 . . . . 0.0 110.509 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -122.25 -116.67 0.3 Allowed 'General case' 0 C--N 1.362 1.112 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -173.55 63.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.266 0.0 OUTLIER -143.67 157.27 44.53 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -175.2 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -142.06 35.82 1.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.744 2.418 . . . . 0.0 104.658 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.1 107.75 6.23 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 171.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.46 126.4 0.87 Allowed Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 105.605 -2.998 . . . . 0.0 105.605 -169.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -127.05 -146.25 0.33 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 104.381 -2.451 . . . . 0.0 104.381 -168.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.2 ttt -109.03 -132.48 0.32 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -85.1 -36.03 21.41 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.783 1.633 . . . . 0.0 113.407 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -137.06 -7.38 1.82 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.035 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 pttt . . . . . 0 CA--C 1.49 -1.328 0 CA-C-N 121.117 1.78 . . . . 0.0 109.044 -164.851 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 . . . . . 0 CA--C 1.506 -0.738 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 152.01 39.45 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -142.17 60.6 1.46 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -165.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.263 1.765 0 C-N-CA 127.782 2.433 . . . . 0.0 113.327 166.306 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -147.83 49.38 1.07 Allowed 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 6' ' ' SER . 2.0 t -101.01 -170.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.286 0 C-N-CA 126.307 1.843 . . . . 0.0 106.323 173.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.629 ' H ' HG12 ' A' ' 5' ' ' VAL . 10.2 p -114.49 134.32 55.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.713 1.605 . . . . 0.0 108.379 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -136.44 150.55 48.79 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -123.99 -53.05 1.75 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.197 2.199 . . . . 0.0 107.669 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -116.55 145.03 43.64 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.133 1.773 . . . . 0.0 108.885 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -89.26 70.68 8.25 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.232 2.213 . . . . 0.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.04 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.03 2.532 . . . . 0.0 105.041 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.369 1.454 0 C-N-CA 128.58 2.752 . . . . 0.0 116.463 -174.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.4 m0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 p -90.14 12.36 18.12 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.962 2.105 . . . . 0.0 111.628 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.98 -51.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 C-N-CA 127.206 2.202 . . . . 0.0 107.342 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.41 -14.96 62.77 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -86.47 -38.56 17.17 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.817 1.647 . . . . 0.0 111.416 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -84.98 -11.0 56.46 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.276 1.83 . . . . 0.0 112.942 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -89.98 -66.42 0.93 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 128.603 2.761 . . . . 0.0 110.148 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -109.35 -112.59 0.31 Allowed 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.667 1.987 . . . . 0.0 107.04 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -172.71 55.57 0.02 OUTLIER 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.02 150.67 37.29 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -112.68 -15.74 12.93 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 126.11 1.764 . . . . 0.0 107.384 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.93 108.12 20.16 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 127.179 2.192 . . . . 0.0 105.981 -176.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.72 109.99 0.23 Allowed Glycine 0 CA--C 1.488 -1.619 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 -165.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -114.13 -140.92 0.38 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.213 2.205 . . . . 0.0 106.597 -165.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 p -155.1 174.22 15.5 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 121.515 0.674 . . . . 0.0 110.441 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.3 ttm -94.97 -121.47 0.1 Allowed 'General case' 0 C--N 1.366 1.313 0 C-N-CA 127.432 2.293 . . . . 0.0 108.263 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.02 -41.06 16.15 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.741 1.617 . . . . 0.0 113.502 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -139.76 -12.3 1.14 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -166.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 pttt . . . . . 0 CA--C 1.492 -1.256 0 CA-C-N 121.485 1.948 . . . . 0.0 108.967 -166.229 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 . . . . . 0 CA--C 1.505 -0.783 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.65 149.03 35.01 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 -173.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.05 65.41 1.26 Allowed 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -163.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.257 1.478 0 C-N-CA 125.073 1.349 . . . . 0.0 112.468 -175.382 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -141.09 57.88 1.54 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 6' ' ' SER . 2.2 t -104.28 -167.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 127.391 2.276 . . . . 0.0 105.655 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.615 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.2 p -120.5 128.39 53.08 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.656 1.583 . . . . 0.0 107.537 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -141.0 152.27 44.78 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -125.7 -46.4 1.73 Allowed 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.404 1.882 . . . . 0.0 109.398 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 p -112.46 131.58 55.5 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.024 1.73 . . . . 0.0 108.131 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -40.05 -54.89 2.18 Favored 'General case' 0 C--N 1.369 1.43 0 N-CA-C 118.96 2.948 . . . . 0.0 118.96 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.81 -33.95 64.91 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 131.386 3.875 . . . . 0.0 115.965 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 C--N 1.371 1.501 0 C-N-CA 130.344 3.458 . . . . 0.0 118.403 178.292 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.9 m0 . . . . . 0 N--CA 1.466 0.347 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 p -89.93 1.16 56.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.816 2.046 . . . . 0.0 111.147 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -95.09 -33.97 5.17 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 C-N-CA 126.97 2.108 . . . . 0.0 109.451 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.74 -19.06 38.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.663 1.985 . . . . 0.0 113.527 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -89.57 -38.45 13.96 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.058 2.143 . . . . 0.0 111.185 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -89.87 -16.64 29.63 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.848 1.659 . . . . 0.0 112.928 -177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -90.2 -47.15 7.97 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 126.642 1.977 . . . . 0.0 111.253 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -118.28 -117.83 0.32 Allowed 'General case' 0 C--N 1.363 1.175 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -170.02 61.29 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -168.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -144.98 -163.92 1.81 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 103.075 -2.935 . . . . 0.0 103.075 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 p -144.93 3.67 1.08 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.262 0.937 . . . . 0.0 109.305 170.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.91 177.11 4.74 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.475 1.51 . . . . 0.0 107.21 -170.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.13 -178.45 35.28 Favored Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 105.954 -2.859 . . . . 0.0 105.954 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -145.01 -156.37 0.69 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 101.908 -3.368 . . . . 0.0 101.908 164.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 p -153.86 172.7 16.96 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 163.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.2 ttt -99.72 -121.47 0.15 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.552 1.541 . . . . 0.0 108.401 -172.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -84.91 -41.89 15.52 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.28 1.432 . . . . 0.0 112.403 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -144.76 -0.88 0.9 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.685 -165.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 CA--C 1.489 -1.38 0 CA-C-N 122.053 2.206 . . . . 0.0 109.087 -173.531 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 22.0 ttt180 . . . . . 0 CA--C 1.508 -0.663 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.01 142.59 29.91 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 -170.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -144.9 80.63 1.63 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.261 1.682 0 C-N-CA 126.055 1.742 . . . . 0.0 107.588 176.615 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.231 0.086 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -151.74 49.43 0.8 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.587 HG12 ' H ' ' A' ' 6' ' ' SER . 1.6 t -97.77 -171.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 125.781 1.632 . . . . 0.0 107.007 175.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.587 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.2 p -112.12 131.35 55.5 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.573 1.549 . . . . 0.0 108.37 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.9 t -136.72 155.56 49.7 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 121.832 0.825 . . . . 0.0 109.31 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -125.48 -52.65 1.6 Allowed 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.087 2.155 . . . . 0.0 108.585 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 p -109.22 144.71 36.97 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.101 1.76 . . . . 0.0 110.595 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 p -86.14 76.77 9.71 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.134 1.773 . . . . 0.0 109.99 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -174.38 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.837 2.455 . . . . 0.0 105.85 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.37 1.475 0 C-N-CA 129.503 3.121 . . . . 0.0 117.683 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 119.352 -0.356 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 p -89.95 -0.35 57.52 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.431 1.892 . . . . 0.0 111.772 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.5 t -96.74 -42.8 12.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 126.145 1.778 . . . . 0.0 108.503 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 m -75.5 -12.31 60.21 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.175 1.79 . . . . 0.0 115.78 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.13 -38.35 14.38 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.95 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -79.01 -25.48 43.29 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.092 1.357 . . . . 0.0 113.991 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.09 -73.16 0.53 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 126.678 1.991 . . . . 0.0 110.985 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -95.06 -23.53 17.3 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.687 1.595 . . . . 0.0 114.158 -165.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.485 16.0 p30 67.88 58.61 0.48 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 130.012 3.325 . . . . 0.0 114.056 -172.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 t -145.05 -177.04 5.34 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.3 p -145.03 32.2 1.12 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 111.02 15.52 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 173.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.6 132.68 1.52 Allowed Glycine 0 CA--C 1.489 -1.579 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -133.74 -178.61 5.09 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 p -127.83 172.15 11.12 Favored 'General case' 0 C--N 1.36 1.043 0 O-C-N 120.828 -1.17 . . . . 0.0 110.147 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.2 ttt -97.27 -121.96 0.13 Allowed 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -85.04 -42.64 14.66 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.375 1.47 . . . . 0.0 113.049 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -142.03 -4.11 1.06 Allowed 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -165.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 pttm . . . . . 0 CA--C 1.491 -1.32 0 CA-C-N 121.54 1.973 . . . . 0.0 108.537 -169.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 . . . . . 0 N--CA 1.441 -0.894 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.66 150.78 39.23 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -140.57 60.31 1.53 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -162.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.26 1.656 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 175.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -147.59 54.33 1.06 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -96.83 -170.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.318 0 C-N-CA 126.654 1.981 . . . . 0.0 107.02 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.545 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.5 p -111.09 131.79 54.79 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 125.418 1.487 . . . . 0.0 108.814 173.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 t -138.94 150.64 46.13 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 121.94 0.876 . . . . 0.0 108.685 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.69 -49.08 1.15 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 126.288 1.835 . . . . 0.0 107.315 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -103.18 129.04 49.97 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.817 2.047 . . . . 0.0 109.367 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 p -86.34 72.96 10.25 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 126.968 2.107 . . . . 0.0 111.348 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -175.79 -31.36 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.984 2.113 . . . . 0.0 107.351 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 C--N 1.37 1.497 0 C-N-CA 129.019 2.928 . . . . 0.0 116.422 177.919 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.3 m0 . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 p -90.05 -2.04 58.05 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 127.576 2.351 . . . . 0.0 111.542 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.18 -34.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 C-N-CA 126.9 2.08 . . . . 0.0 108.698 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 m -69.28 -22.74 63.79 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.981 2.112 . . . . 0.0 114.228 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -45.47 10.43 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.652 2.381 . . . . 0.0 112.714 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -25.42 36.56 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.665 1.986 . . . . 0.0 113.842 -176.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.53 -61.18 1.86 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.877 2.071 . . . . 0.0 109.541 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.405 ' CE1' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -99.97 -115.6 0.16 Allowed 'General case' 0 C--N 1.363 1.194 0 C-N-CA 124.675 1.19 . . . . 0.0 107.87 170.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -177.74 58.57 0.01 OUTLIER 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 t -145.06 -178.35 6.0 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.2 m -129.96 -15.04 3.88 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 125.223 1.409 . . . . 0.0 108.341 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.82 112.53 24.25 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.859 1.664 . . . . 0.0 106.812 -169.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.85 133.96 1.57 Allowed Glycine 0 CA--C 1.482 -2.005 0 N-CA-C 107.235 -2.346 . . . . 0.0 107.235 -167.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -132.41 -139.62 0.2 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 104.603 -2.369 . . . . 0.0 104.603 -166.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 p -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.499 -1.019 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.8 ttt -95.31 -123.96 0.11 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.518 2.327 . . . . 0.0 107.496 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -85.33 -43.19 13.92 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.634 1.973 . . . . 0.0 113.242 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -140.98 -3.11 1.26 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.879 -1.058 . . . . 0.0 113.617 -163.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 CA--C 1.493 -1.241 0 CA-C-N 121.539 1.972 . . . . 0.0 109.436 -171.546 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 . . . . . 0 CA--C 1.501 -0.911 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.405 ' SG ' ' CE1' ' A' ' 21' ' ' HIS . 1.8 t -145.13 151.23 38.15 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.56 61.65 1.47 Allowed 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 -161.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.257 1.498 0 C-N-CA 125.728 1.611 . . . . 0.0 106.996 176.206 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.02 48.2 0.99 Allowed 'General case' 0 C--N 1.357 0.93 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.583 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.84 -171.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.42 0 C-N-CA 125.853 1.661 . . . . 0.0 107.543 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.583 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.8 p -108.5 134.83 50.73 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.367 1.467 . . . . 0.0 108.375 175.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -137.4 152.22 49.4 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.028 0.918 . . . . 0.0 109.066 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 p -130.19 -49.06 1.1 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.042 2.137 . . . . 0.0 107.471 172.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.1 p -106.35 138.92 41.66 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.46 1.904 . . . . 0.0 110.379 -172.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 p -88.75 83.69 6.7 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 125.482 1.513 . . . . 0.0 109.73 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -175.02 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.276 2.63 . . . . 0.0 105.183 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.37 1.485 0 C-N-CA 130.335 3.454 . . . . 0.0 116.674 174.611 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -89.93 4.81 48.89 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.37 1.868 . . . . 0.0 112.023 172.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.72 -28.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.22 0 C-N-CA 124.949 1.3 . . . . 0.0 109.999 173.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.2 m -84.47 -17.57 38.66 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.171 1.388 . . . . 0.0 112.275 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -90.08 -28.5 18.97 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.306 1.842 . . . . 0.0 111.899 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -89.56 -21.73 22.73 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.23 1.412 . . . . 0.0 113.542 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -89.89 -50.94 5.74 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 125.394 1.477 . . . . 0.0 109.729 171.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 -114.51 0.31 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -173.32 58.02 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -173.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -145.02 171.61 14.22 Favored 'General case' 0 C--N 1.361 1.074 0 O-C-N 121.268 -0.895 . . . . 0.0 108.999 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.0 p -145.09 37.97 1.16 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -167.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.2 116.48 12.64 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 102.911 -2.996 . . . . 0.0 102.911 165.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.51 132.27 1.46 Allowed Glycine 0 C--N 1.35 1.322 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -172.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 159.24 43.25 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 102.768 -3.049 . . . . 0.0 102.768 -171.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 p -108.47 172.77 6.65 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.643 1.177 . . . . 0.0 110.477 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ttt -97.1 -121.88 0.12 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.195 1.798 . . . . 0.0 108.274 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -85.28 -39.19 18.0 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.652 1.581 . . . . 0.0 114.208 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -136.51 -20.73 1.36 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -160.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.485 -1.536 0 CA-C-N 121.26 1.846 . . . . 0.0 107.36 -167.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 . . . . . 0 N--CA 1.443 -0.823 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.09 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -178.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -145.12 61.87 1.3 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 -165.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.258 1.528 0 C-N-CA 125.665 1.586 . . . . 0.0 109.38 -176.288 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -137.87 54.5 1.8 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 124.882 1.273 . . . . 0.0 108.28 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.608 HG12 ' H ' ' A' ' 6' ' ' SER . 2.0 t -102.29 -167.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 126.864 2.066 . . . . 0.0 106.158 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.608 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.9 p -116.56 132.17 56.75 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.476 1.51 . . . . 0.0 108.31 173.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -145.82 148.65 33.13 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.86 0.838 . . . . 0.0 109.175 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -129.01 -44.61 1.29 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 126.743 2.017 . . . . 0.0 108.362 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -109.73 140.02 44.11 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.004 1.722 . . . . 0.0 109.808 -175.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.9 t -86.84 77.92 9.16 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.798 2.039 . . . . 0.0 109.598 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -174.64 -43.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.109 2.164 . . . . 0.0 105.221 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.372 1.576 0 C-N-CA 131.012 3.725 . . . . 0.0 118.832 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 19.3 m0 . . . . . 0 CA--C 1.519 -0.236 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 p -89.88 -0.49 57.59 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.927 2.091 . . . . 0.0 111.142 172.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.2 t -95.34 -41.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 125.997 1.719 . . . . 0.0 109.243 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -82.76 -4.83 58.47 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 126.055 1.742 . . . . 0.0 113.946 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.147 2.179 . . . . 0.0 111.326 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -89.33 -12.08 41.54 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.192 1.797 . . . . 0.0 113.585 -173.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -90.07 -48.35 7.25 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.336 1.854 . . . . 0.0 110.191 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -109.83 -116.05 0.3 Allowed 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.4 1.48 . . . . 0.0 107.269 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -173.0 57.42 0.02 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -170.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -144.71 -156.95 0.74 Allowed 'General case' 0 C--N 1.359 0.995 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 175.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -145.1 -2.42 0.8 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-N 120.092 1.314 . . . . 0.0 110.751 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -117.77 -170.52 1.88 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.946 1.298 . . . . 0.0 108.621 -175.688 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.2 168.04 16.52 Favored Glycine 0 N--CA 1.433 -1.566 0 N-CA-C 103.475 -3.85 . . . . 0.0 103.475 -166.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -144.9 170.66 15.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 101.565 -3.494 . . . . 0.0 101.565 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.0 p -133.88 173.43 11.56 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -121.81 0.15 Allowed 'General case' 0 C--N 1.363 1.178 0 C-N-CA 126.184 1.794 . . . . 0.0 107.096 -171.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -85.46 -43.66 13.4 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 124.421 1.088 . . . . 0.0 112.747 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -144.95 3.99 1.09 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.76 -1.114 . . . . 0.0 113.931 -165.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 pttp . . . . . 0 CA--C 1.487 -1.456 0 CA-C-N 121.556 1.98 . . . . 0.0 110.122 -177.39 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.55 135.21 24.73 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -166.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -144.86 92.68 2.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 -168.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.26 1.645 0 N-CA-C 106.387 -1.708 . . . . 0.0 106.387 -178.77 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.444 HG21 HG12 ' A' ' 16' ' ' VAL . 7.2 p . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -142.22 52.27 1.47 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.542 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.41 -172.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.725 2.01 . . . . 0.0 107.001 172.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.542 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.0 p -113.25 132.12 55.65 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.126 1.37 . . . . 0.0 107.537 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.0 p -105.35 170.52 7.83 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.752 0.821 . . . . 0.0 110.8 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 p -132.85 -52.75 0.92 Allowed 'General case' 0 C--N 1.357 0.91 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 168.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -121.18 157.15 30.83 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.252 1.821 . . . . 0.0 108.015 -176.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.3 m -90.08 72.76 7.32 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.107 2.163 . . . . 0.0 109.784 165.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -163.29 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.15 2.58 . . . . 0.0 106.201 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--N 1.368 1.404 0 C-N-CA 130.318 3.447 . . . . 0.0 115.626 177.121 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 . . . . . 0 CA--C 1.515 -0.372 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.7 p -89.95 -3.3 58.1 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 126.32 1.848 . . . . 0.0 111.335 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.444 HG12 HG21 ' A' ' 3' ' ' THR . 5.0 t -96.89 -29.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 C-N-CA 125.755 1.622 . . . . 0.0 109.726 176.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.2 m -80.81 -17.77 49.7 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -89.76 -35.45 15.72 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.733 1.613 . . . . 0.0 111.45 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -19.93 46.3 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.245 1.818 . . . . 0.0 113.786 -176.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.06 -67.97 0.81 Allowed 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.6 2.36 . . . . 0.0 109.903 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -102.73 -114.83 0.21 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.401 1.88 . . . . 0.0 108.255 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -175.55 58.18 0.02 OUTLIER 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.99 176.93 9.13 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.3 m -127.85 -16.79 4.59 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 124.015 0.926 . . . . 0.0 108.851 -175.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 118.21 31.44 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -172.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.36 131.61 1.27 Allowed Glycine 0 CA--C 1.487 -1.714 0 N-CA-C 104.944 -3.262 . . . . 0.0 104.944 -166.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -129.09 -146.0 0.31 Allowed 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -152.94 174.88 13.57 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 -175.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -107.12 -128.82 0.27 Allowed 'General case' 0 C--N 1.36 1.063 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.92 -42.59 14.85 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.968 1.707 . . . . 0.0 113.058 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -142.32 4.45 1.59 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.62 1.168 . . . . 0.0 112.049 -166.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.9 pttt . . . . . 0 CA--C 1.491 -1.319 0 CA-C-N 121.034 1.743 . . . . 0.0 109.037 -173.103 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 . . . . . 0 CA--C 1.504 -0.789 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -145.06 137.88 26.3 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -135.97 73.06 1.45 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 -164.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.261 1.669 0 C-N-CA 125.27 1.428 . . . . 0.0 110.185 -177.874 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.89 53.3 0.92 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -99.57 -169.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.117 1.767 . . . . 0.0 106.836 173.089 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.589 ' H ' HG12 ' A' ' 5' ' ' VAL . 9.7 p -114.83 135.66 53.94 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.618 1.567 . . . . 0.0 108.45 174.07 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 t -144.66 148.54 34.39 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -130.41 -47.21 1.08 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 126.562 1.945 . . . . 0.0 107.3 175.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -104.59 129.37 52.7 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.49 1.916 . . . . 0.0 108.698 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -87.53 72.18 9.67 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.68 1.992 . . . . 0.0 111.116 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -172.74 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 126.48 1.912 . . . . 0.0 107.131 -178.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--N 1.373 1.591 0 C-N-CA 130.384 3.474 . . . . 0.0 116.791 172.151 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 p -90.03 0.5 57.08 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 126.792 2.037 . . . . 0.0 111.389 171.45 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.07 -38.18 8.58 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 C-N-CA 126.921 2.089 . . . . 0.0 108.917 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.3 m -79.61 -11.13 59.88 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.005 1.722 . . . . 0.0 114.305 171.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -89.55 -50.16 6.25 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.864 2.065 . . . . 0.0 112.161 -176.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -80.89 -18.74 46.23 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.61 1.964 . . . . 0.0 114.006 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -90.0 -43.14 10.73 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.23 1.812 . . . . 0.0 110.778 178.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -119.36 -115.38 0.32 Allowed 'General case' 0 C--N 1.363 1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -177.06 58.8 0.01 OUTLIER 'General case' 0 C--N 1.353 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 107.617 -175.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -145.03 178.68 7.87 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.1 m -122.16 -15.1 7.81 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 107.997 175.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.97 109.36 21.39 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.549 1.939 . . . . 0.0 106.881 -169.117 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.83 112.56 0.33 Allowed Glycine 0 CA--C 1.486 -1.767 0 N-CA-C 106.922 -2.471 . . . . 0.0 106.922 -172.085 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -114.03 -146.78 0.41 Allowed 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.034 2.134 . . . . 0.0 105.563 -170.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 p -155.01 176.39 12.6 Favored 'General case' 0 CA--C 1.495 -1.171 0 CA-C-O 121.428 0.632 . . . . 0.0 109.608 175.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 ttm -97.1 -124.06 0.13 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.697 1.999 . . . . 0.0 107.778 174.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.24 -41.13 15.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.204 1.401 . . . . 0.0 113.516 176.35 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -145.07 4.16 1.07 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -164.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttm . . . . . 0 CA--C 1.487 -1.449 0 CA-C-N 121.546 1.975 . . . . 0.0 109.282 179.199 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 140.8 28.48 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 175.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -124.21 -14.27 7.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.714 1.606 . . . . 0.0 108.77 -162.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . 0.287 60.5 p . . . . . 0 C--O 1.26 1.657 0 C-N-CA 129.86 3.264 . . . . 0.0 116.96 174.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -138.56 52.27 1.81 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.22 -169.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 127.009 2.124 . . . . 0.0 106.733 174.466 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.584 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.6 p -118.61 130.7 56.02 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 172.324 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 p -101.89 173.09 6.55 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.738 0.815 . . . . 0.0 111.103 -178.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 p -124.77 -56.77 1.57 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 171.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -131.07 159.62 37.06 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.767 1.627 . . . . 0.0 106.99 -178.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -90.04 57.8 3.92 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.907 2.483 . . . . 0.0 111.749 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -168.33 -33.33 0.02 OUTLIER 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.844 1.658 . . . . 0.0 109.248 -173.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 C--N 1.371 1.506 0 C-N-CA 128.103 2.561 . . . . 0.0 114.784 -179.413 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.8 m0 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 p -89.99 -2.62 58.18 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 126.978 2.111 . . . . 0.0 111.141 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.93 -24.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.407 2.283 . . . . 0.0 109.082 177.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -72.37 -29.57 63.9 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.673 1.589 . . . . 0.0 113.174 165.136 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -89.06 -36.36 15.81 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 127.303 2.241 . . . . 0.0 113.161 -169.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -83.86 -19.17 35.33 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.857 2.063 . . . . 0.0 113.327 -177.159 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.13 -61.91 1.58 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.901 2.481 . . . . 0.0 108.889 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -106.21 -112.74 0.27 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.903 1.681 . . . . 0.0 108.671 -177.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -175.72 57.8 0.01 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.298 1.439 . . . . 0.0 107.217 -173.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.76 44.02 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -172.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -126.21 -6.73 6.53 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 126.534 1.933 . . . . 0.0 107.814 178.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.05 112.87 24.53 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.614 1.965 . . . . 0.0 107.265 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.77 163.36 36.84 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 106.171 -2.771 . . . . 0.0 106.171 -169.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -144.98 -150.36 0.32 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.09 175.25 14.08 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 172.714 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 ttt -105.72 -130.2 0.28 Allowed 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -175.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -84.99 -37.91 19.88 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.572 1.549 . . . . 0.0 112.934 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -140.91 -3.05 1.27 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.101 -1.428 . . . . 0.0 113.084 -170.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt . . . . . 0 CA--C 1.487 -1.459 0 CA-C-N 122.379 2.354 . . . . 0.0 108.353 -171.763 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 . . . . . 0 CA--C 1.507 -0.702 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -145.11 140.17 27.84 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 -175.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -130.27 40.9 3.47 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 126.247 1.819 . . . . 0.0 106.167 -160.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.26 1.613 0 C-N-CA 126.138 1.775 . . . . 0.0 109.642 177.931 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.45 -0.473 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -141.91 56.16 1.48 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 -178.3 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 6' ' ' SER . 2.4 t -97.74 -168.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 127.348 2.259 . . . . 0.0 106.295 176.415 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.621 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -122.39 130.01 52.67 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 172.023 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.36 175.45 5.47 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 123.658 0.783 . . . . 0.0 110.594 -177.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -130.11 -55.36 1.11 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 164.048 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -122.9 151.95 41.26 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.465 1.506 . . . . 0.0 107.943 -177.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -89.9 71.68 7.54 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 127.739 2.416 . . . . 0.0 110.596 173.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -170.09 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 -176.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.369 1.432 0 C-N-CA 130.891 3.676 . . . . 0.0 115.927 177.14 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.3 m0 . . . . . 0 CA--C 1.522 -0.106 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 p -90.04 8.3 33.26 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.383 2.273 . . . . 0.0 111.044 173.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.08 -43.04 12.86 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 126.725 2.01 . . . . 0.0 108.187 171.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 m -85.19 -5.68 59.32 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 124.602 1.161 . . . . 0.0 114.088 179.056 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -89.96 -37.5 14.31 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.743 2.017 . . . . 0.0 111.793 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.43 -12.48 43.03 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.897 2.079 . . . . 0.0 112.608 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.95 -65.66 1.0 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 128.301 2.641 . . . . 0.0 110.549 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -101.62 -112.57 0.2 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.801 2.04 . . . . 0.0 107.444 -174.181 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.98 57.98 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.98 173.22 12.06 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -179.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 p -144.98 23.61 1.52 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 178.386 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.39 123.72 48.26 Favored 'General case' 0 C--N 1.366 1.303 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 170.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.12 160.76 34.43 Favored Glycine 0 CA--C 1.482 -1.996 0 N-CA-C 104.14 -3.584 . . . . 0.0 104.14 -173.193 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 -170.2 3.36 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 176.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.1 155.64 34.39 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 101.848 -3.39 . . . . 0.0 101.848 174.357 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 ttp -99.45 -122.61 0.15 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 124.472 1.109 . . . . 0.0 108.618 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -85.09 -37.21 20.56 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.235 1.014 . . . . 0.0 113.537 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -136.81 -20.7 1.29 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.829 -166.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.0 pttt . . . . . 0 C--N 1.365 1.274 0 CA-C-N 121.139 1.79 . . . . 0.0 109.141 -168.774 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 15.6 ttm105 . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.564 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -144.76 143.81 30.86 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 102.985 -2.968 . . . . 0.0 102.985 -169.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -145.07 64.75 1.27 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -169.108 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.259 1.588 0 C-N-CA 125.505 1.522 . . . . 0.0 110.86 -180.0 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.32 49.05 1.84 Allowed 'General case' 0 C--N 1.359 1.009 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 175.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.1 t -102.93 159.92 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 C-N-CA 128.849 2.859 . . . . 0.0 104.318 173.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 p -95.18 139.96 30.77 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 124.994 1.317 . . . . 0.0 110.821 -179.387 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -144.65 151.15 38.54 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -176.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.39 -47.76 0.99 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.342 1.857 . . . . 0.0 107.099 174.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p -104.45 131.08 52.21 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.426 1.891 . . . . 0.0 109.267 -177.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -88.66 74.21 8.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 127.258 2.223 . . . . 0.0 110.3 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -173.44 -43.29 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -169.189 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 C--N 1.371 1.509 0 C-N-CA 129.323 3.049 . . . . 0.0 116.016 -178.674 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.1 m0 . . . . . 0 CA--C 1.523 -0.061 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -90.03 13.8 13.91 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 111.623 170.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.55 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 126.332 1.853 . . . . 0.0 109.176 172.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.82 -16.08 58.59 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 120.051 1.296 . . . . 0.0 114.3 172.087 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -90.04 -34.99 15.74 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.855 2.062 . . . . 0.0 112.572 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.81 -16.39 30.28 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 126.229 1.812 . . . . 0.0 113.344 -176.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.93 -61.97 1.57 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.07 2.148 . . . . 0.0 109.049 176.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -100.68 -114.54 0.18 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 125.838 1.655 . . . . 0.0 108.076 -178.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -177.73 61.27 0.01 OUTLIER 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -175.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -145.0 -167.21 2.61 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.2 p -135.42 -13.92 2.0 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 123.818 0.847 . . . . 0.0 109.779 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.01 115.52 27.53 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 124.859 1.264 . . . . 0.0 107.669 -172.223 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.44 107.17 0.24 Allowed Glycine 0 CA--C 1.483 -1.91 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -171.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -107.97 -149.47 0.43 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.328 1.851 . . . . 0.0 106.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -155.02 174.75 14.73 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.063 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -119.32 0.1 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.753 1.621 . . . . 0.0 108.726 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -85.01 -41.24 16.0 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.934 1.294 . . . . 0.0 113.529 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -140.12 -11.58 1.1 Allowed 'General case' 0 C--N 1.356 0.887 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -163.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? . . . . . 0 C--N 1.366 1.283 0 CA-C-N 121.765 2.075 . . . . 0.0 109.838 -174.175 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 . . . . . 0 N--CA 1.44 -0.961 0 N-CA-C 104.938 -2.245 . . . . 0.0 104.938 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.99 140.68 28.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 -177.704 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -131.11 34.22 4.06 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.914 2.086 . . . . 0.0 106.291 -162.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.26 1.622 0 C-N-CA 127.233 2.213 . . . . 0.0 111.643 -178.324 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -135.83 49.97 2.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.7 t -103.93 155.42 5.73 Favored 'Isoleucine or valine' 0 C--N 1.363 1.156 0 C-N-CA 128.413 2.685 . . . . 0.0 104.289 171.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -95.11 137.9 33.54 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.179 1.392 . . . . 0.0 110.163 -179.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -141.49 147.79 38.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 122.374 1.083 . . . . 0.0 108.776 -176.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 p -132.33 -45.91 0.91 Allowed 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.091 2.156 . . . . 0.0 107.348 175.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 p -105.22 132.72 51.07 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.526 1.93 . . . . 0.0 108.708 -177.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 p -89.85 72.98 7.53 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 126.499 1.92 . . . . 0.0 111.203 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -173.51 -35.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 105.994 -178.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 C--N 1.371 1.508 1 C-N-CA 131.709 4.004 . . . . 0.0 117.963 172.29 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.8 m0 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 p -90.0 6.92 40.14 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 127.663 2.385 . . . . 0.0 111.731 169.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.4 -36.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.074 1.749 . . . . 0.0 109.132 173.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 m -81.57 -7.67 59.62 Favored 'General case' 0 C--N 1.372 1.56 0 C-N-CA 125.949 1.699 . . . . 0.0 113.501 173.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -89.87 -35.53 15.58 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.149 2.18 . . . . 0.0 111.303 174.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -89.61 -24.46 21.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.565 1.946 . . . . 0.0 113.505 -177.07 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -90.14 -43.69 10.28 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.963 1.705 . . . . 0.0 110.406 178.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -115.09 -119.04 0.31 Allowed 'General case' 0 C--N 1.362 1.132 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -175.21 62.42 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -177.013 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -144.7 -170.58 3.43 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 p -128.64 -35.97 1.88 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 128.02 41.33 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.996 1.718 . . . . 0.0 108.038 -172.326 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.53 100.71 0.14 Allowed Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 105.88 -2.888 . . . . 0.0 105.88 -168.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -106.95 -143.35 0.38 Allowed 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.762 2.425 . . . . 0.0 107.996 -167.072 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 p -155.16 175.14 14.23 Favored 'General case' 0 CA--C 1.495 -1.155 0 C-N-CA 123.696 0.798 . . . . 0.0 108.93 176.074 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -98.42 -118.75 0.14 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.4 1.88 . . . . 0.0 107.661 171.054 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.1 p30 -88.34 -33.64 17.9 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 125.057 1.343 . . . . 0.0 114.429 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -131.56 -35.11 1.32 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -164.144 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttm . . . . . 0 CA--C 1.494 -1.179 0 CA-C-N 120.548 1.522 . . . . 0.0 109.034 -166.368 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 142.08 29.53 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 -178.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -144.79 61.69 1.32 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 -163.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 p . . . . . 0 C--O 1.259 1.596 0 C-N-CA 125.265 1.426 . . . . 0.0 110.949 -178.328 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -145.36 52.95 1.19 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.16 -172.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.406 0 C-N-CA 125.776 1.631 . . . . 0.0 107.129 170.199 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.582 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.4 p -111.91 132.51 54.69 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.582 1.553 . . . . 0.0 108.062 174.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -137.97 153.47 49.44 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 121.933 0.873 . . . . 0.0 109.815 -177.272 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.1 p -125.81 -47.42 1.67 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.253 2.221 . . . . 0.0 108.752 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 p -112.22 141.23 46.17 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 125.759 1.624 . . . . 0.0 110.765 -170.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 p -86.93 74.34 9.76 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.639 1.976 . . . . 0.0 110.907 177.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -173.94 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.355 0.848 0 C-N-CA 127.423 2.289 . . . . 0.0 105.445 -173.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.369 1.431 0 C-N-CA 130.154 3.382 . . . . 0.0 117.567 177.639 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -90.03 -7.09 54.75 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.095 2.158 . . . . 0.0 111.692 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.99 -35.37 6.02 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 C-N-CA 125.469 1.508 . . . . 0.0 109.536 -176.366 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -82.4 -11.48 58.52 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.03 1.332 . . . . 0.0 113.815 175.36 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -87.95 -40.57 13.81 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 125.351 1.46 . . . . 0.0 110.947 173.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.59 58.99 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.349 1.86 . . . . 0.0 113.82 -176.276 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.02 -42.09 11.34 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.965 2.106 . . . . 0.0 111.416 -178.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -118.88 -119.08 0.31 Allowed 'General case' 0 C--N 1.363 1.18 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -178.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.92 56.35 0.02 OUTLIER 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.715 1.606 . . . . 0.0 106.706 -177.388 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 t -145.05 -179.99 6.98 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 p -128.75 -11.47 4.9 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.897 0.879 . . . . 0.0 108.69 -178.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.88 117.46 30.17 Favored 'General case' 0 C--N 1.367 1.352 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -173.054 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.11 124.87 0.76 Allowed Glycine 0 CA--C 1.486 -1.763 0 N-CA-C 106.339 -2.704 . . . . 0.0 106.339 -170.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -127.86 -149.5 0.41 Allowed 'General case' 0 C--N 1.358 0.968 0 N-CA-C 104.399 -2.445 . . . . 0.0 104.399 -170.249 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 p -155.09 175.81 13.35 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ttp -98.61 -128.26 0.18 Allowed 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.91 2.084 . . . . 0.0 107.213 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 -36.55 20.13 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.68 1.192 . . . . 0.0 114.008 175.186 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -140.46 -3.74 1.31 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-O 117.384 -1.293 . . . . 0.0 113.989 -166.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 CA--C 1.492 -1.279 0 CA-C-N 122.02 2.191 . . . . 0.0 110.045 -174.385 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 . . . . . 0 CA--C 1.508 -0.659 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 t -145.03 141.59 29.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -140.67 69.59 1.35 Allowed 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -165.097 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.258 1.547 0 C-N-CA 125.254 1.422 . . . . 0.0 111.06 -175.612 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -146.69 52.56 1.1 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 6' ' ' SER . 1.2 t -93.33 -173.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.313 1.845 . . . . 0.0 107.461 170.707 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.528 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.8 p -114.96 130.48 56.93 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.07 1.348 . . . . 0.0 107.658 173.246 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.59 173.17 6.46 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 123.637 0.775 . . . . 0.0 111.768 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 p -123.25 -57.79 1.66 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 169.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 p -132.85 159.01 41.06 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 126.009 1.724 . . . . 0.0 107.251 -176.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 m -90.04 62.39 5.55 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.847 2.459 . . . . 0.0 111.181 175.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -165.45 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.267 1.827 . . . . 0.0 107.58 -178.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.37 1.498 0 C-N-CA 129.629 3.172 . . . . 0.0 115.493 177.316 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 m0 . . . . . 0 N--CA 1.458 -0.06 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.0 p -89.87 4.56 49.52 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.016 2.126 . . . . 0.0 111.863 171.126 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -94.9 -26.62 4.35 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 126.788 2.035 . . . . 0.0 108.696 173.029 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 m -69.3 -24.52 63.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.277 1.831 . . . . 0.0 114.833 165.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -89.96 -37.53 14.29 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.199 1.8 . . . . 0.0 112.306 -178.219 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.01 -23.16 36.13 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.641 1.976 . . . . 0.0 113.376 -174.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.98 -63.69 1.24 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.11 2.164 . . . . 0.0 109.714 175.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -101.84 -115.1 0.19 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.687 1.595 . . . . 0.0 108.192 -178.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 p30 179.86 60.95 0.01 OUTLIER 'General case' 0 C--N 1.353 0.753 0 C-N-CA 125.571 1.548 . . . . 0.0 107.297 -177.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -145.02 -179.06 6.37 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 179.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 p -138.96 -13.63 1.21 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.433 0.693 . . . . 0.0 110.393 -172.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.03 123.79 38.71 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 176.437 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.78 158.66 22.29 Favored Glycine 0 CA--C 1.489 -1.57 0 N-CA-C 103.957 -3.657 . . . . 0.0 103.957 -166.396 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -144.96 -154.42 0.54 Allowed 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.08 177.7 11.03 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 174.253 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.0 ttm -107.63 -132.02 0.31 Allowed 'General case' 0 C--N 1.361 1.082 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -35.68 21.69 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.337 1.455 . . . . 0.0 113.2 176.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.62 1.15 1.7 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.548 -1.215 . . . . 0.0 112.838 -170.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 pttt . . . . . 0 C--N 1.368 1.374 0 CA-C-N 121.897 2.135 . . . . 0.0 109.444 -173.09 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 . . . . . 0 CA--C 1.503 -0.851 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 t -145.03 143.72 30.63 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 -176.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -135.86 83.55 2.02 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -161.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.261 1.685 0 C-N-CA 125.744 1.618 . . . . 0.0 107.856 165.344 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -148.29 49.99 1.03 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 178.145 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -94.35 -176.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 125.582 1.553 . . . . 0.0 107.149 170.633 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.464 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.9 p -108.08 134.68 50.61 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.894 1.278 . . . . 0.0 107.86 172.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -104.15 170.84 7.67 Favored 'General case' 0 C--N 1.363 1.185 0 CA-C-O 121.421 0.629 . . . . 0.0 110.695 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 p -128.66 -51.38 1.25 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 167.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.7 p -126.05 156.86 39.28 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.932 1.693 . . . . 0.0 107.666 -176.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.2 m -90.0 79.88 6.48 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.108 2.163 . . . . 0.0 108.123 165.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -173.93 -42.49 0.01 OUTLIER 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.726 -2.324 . . . . 0.0 104.726 -167.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 . . . . . 0 C--N 1.367 1.354 0 C-N-CA 131.037 3.735 . . . . 0.0 116.135 177.711 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 p -90.02 -4.22 57.53 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.929 1.691 . . . . 0.0 111.339 175.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 t -96.64 -28.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 C-N-CA 125.701 1.6 . . . . 0.0 109.913 178.715 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -85.91 -16.25 39.1 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.208 1.003 . . . . 0.0 112.938 176.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -90.05 -32.98 16.5 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 125.67 1.588 . . . . 0.0 111.66 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.23 42.73 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.856 1.662 . . . . 0.0 113.276 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -90.14 -50.33 6.06 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 126.535 1.934 . . . . 0.0 110.588 178.451 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -118.97 -116.31 0.32 Allowed 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 -177.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -175.84 59.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -176.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -145.07 175.32 10.33 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 p -144.89 32.62 1.13 Allowed 'General case' 0 C--N 1.352 0.676 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -174.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.27 112.42 18.6 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 101.78 -3.415 . . . . 0.0 101.78 175.022 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.15 134.76 2.38 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 106.838 -2.505 . . . . 0.0 106.838 -170.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -145.09 161.57 39.12 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 102.745 -3.057 . . . . 0.0 102.745 -175.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -118.78 173.14 7.05 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -174.641 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.3 ttt -106.73 -131.62 0.3 Allowed 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -85.06 -36.52 21.15 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.002 1.721 . . . . 0.0 113.486 175.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -135.43 -12.81 2.07 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.396 -1.288 . . . . 0.0 113.416 -168.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 CA--C 1.489 -1.378 0 CA-C-N 121.489 1.95 . . . . 0.0 108.943 -168.185 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.85 155.84 43.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 -178.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -145.08 65.55 1.26 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -166.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.261 1.705 0 C-N-CA 124.978 1.311 . . . . 0.0 110.699 178.05 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.51 52.3 0.59 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.068 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.75 -168.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.312 1.845 . . . . 0.0 107.243 176.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.551 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.1 p -113.49 133.65 55.11 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.54 1.536 . . . . 0.0 108.761 173.679 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -141.67 150.52 42.01 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.61 -48.44 1.16 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.765 2.026 . . . . 0.0 107.421 173.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -107.31 136.71 46.66 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.276 1.83 . . . . 0.0 109.709 -175.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 p -89.9 72.38 7.51 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.893 2.077 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -173.79 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.046 2.138 . . . . 0.0 106.899 -173.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.372 1.568 0 C-N-CA 129.865 3.266 . . . . 0.0 116.088 177.724 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.1 m0 . . . . . 0 C--O 1.23 0.063 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.8 p -90.1 -0.13 57.44 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 127.214 2.206 . . . . 0.0 111.768 170.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.95 -32.76 4.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.253 0 C-N-CA 127.28 2.232 . . . . 0.0 109.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -82.07 -13.06 57.86 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 125.967 1.707 . . . . 0.0 112.953 171.022 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -89.87 -33.26 16.53 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.265 2.226 . . . . 0.0 111.706 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -24.42 24.87 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.719 2.008 . . . . 0.0 112.998 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.4 tp -90.05 -47.21 7.98 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.074 1.349 . . . . 0.0 110.728 177.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -115.94 -119.08 0.31 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -176.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.88 58.15 0.03 OUTLIER 'General case' 0 C--N 1.35 0.61 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -144.93 -172.94 3.95 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 p -135.98 -26.42 1.18 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 124.16 0.984 . . . . 0.0 108.734 178.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 123.56 38.4 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -173.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.83 107.52 0.21 Allowed Glycine 0 CA--C 1.489 -1.569 0 N-CA-C 105.341 -3.104 . . . . 0.0 105.341 -163.135 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.13 -140.53 0.38 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.616 2.366 . . . . 0.0 106.636 -166.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 p -155.13 175.32 13.99 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 121.429 0.633 . . . . 0.0 110.208 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.55 -122.52 0.13 Allowed 'General case' 0 C--N 1.366 1.323 0 C-N-CA 127.044 2.138 . . . . 0.0 107.682 173.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -85.14 -41.21 15.9 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.705 1.602 . . . . 0.0 113.57 179.027 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -139.58 -9.64 1.23 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -166.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 pttm . . . . . 0 CA--C 1.491 -1.317 0 CA-C-N 121.728 2.058 . . . . 0.0 109.109 -171.072 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 . . . . . 0 CA--C 1.505 -0.781 0 N-CA-C 105.11 -2.181 . . . . 0.0 105.11 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.7 138.74 27.48 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 -178.423 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -140.42 68.77 1.35 Allowed 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -161.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--O 1.262 1.75 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 174.542 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -149.16 54.02 0.97 Allowed 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 6' ' ' SER . 1.2 t -99.06 -172.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.371 0 C-N-CA 126.125 1.77 . . . . 0.0 106.69 174.515 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.524 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.0 p -110.87 131.84 54.71 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.173 1.389 . . . . 0.0 108.361 173.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -141.37 149.2 40.81 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 122.075 0.941 . . . . 0.0 108.787 -179.775 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 p -131.48 -47.23 0.98 Allowed 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.465 1.906 . . . . 0.0 107.639 173.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -104.32 130.56 52.15 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 126.706 2.002 . . . . 0.0 109.167 -177.599 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.4 p -88.0 75.85 8.69 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.729 2.012 . . . . 0.0 110.409 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -173.06 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.025 2.13 . . . . 0.0 105.521 -178.347 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.373 1.6 0 C-N-CA 129.731 3.212 . . . . 0.0 116.803 178.37 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 m0 . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 p -89.9 6.35 42.35 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.357 2.263 . . . . 0.0 111.407 171.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.66 -40.88 11.39 Favored 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 127.492 2.317 . . . . 0.0 107.732 173.14 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 m -59.6 -26.78 65.73 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.553 2.341 . . . . 0.0 116.047 169.584 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -89.71 -34.43 16.23 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.854 1.662 . . . . 0.0 112.961 177.61 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -29.46 53.04 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.459 2.303 . . . . 0.0 113.833 -177.531 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.94 -63.07 1.33 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.719 2.408 . . . . 0.0 109.151 178.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -104.05 -114.36 0.23 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.467 1.507 . . . . 0.0 108.359 -178.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 179.56 60.3 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.263 1.425 . . . . 0.0 108.285 -176.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -144.94 177.88 8.43 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 177.654 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.2 m -141.72 17.29 2.16 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -173.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -106.71 119.95 40.69 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 171.043 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.06 134.6 3.38 Favored Glycine 0 CA--C 1.489 -1.563 0 N-CA-C 105.693 -2.963 . . . . 0.0 105.693 -170.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -145.07 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 102.517 -3.142 . . . . 0.0 102.517 174.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -124.89 172.57 9.26 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 108.151 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -122.72 0.14 Allowed 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.65 1.58 . . . . 0.0 108.22 -176.237 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -85.34 -39.22 17.9 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.815 1.646 . . . . 0.0 113.366 179.127 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -139.12 -15.91 1.1 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.363 -1.303 . . . . 0.0 114.047 -162.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 CA--C 1.492 -1.277 0 CA-C-N 121.561 1.982 . . . . 0.0 109.474 -166.107 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -139.09 155.4 47.94 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 103.159 -2.904 . . . . 0.0 103.159 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -142.98 67.84 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -160.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.26 1.607 0 C-N-CA 124.946 1.299 . . . . 0.0 111.455 178.216 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.082 0 CA-C-O 121.515 0.674 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -127.65 161.01 29.88 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.081 1.752 . . . . 0.0 106.435 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 p -111.38 157.11 20.61 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.076 2.15 . . . . 0.0 106.456 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -141.02 53.9 1.57 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.8 -170.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.14 2.176 . . . . 0.0 106.581 174.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.575 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.9 p -114.46 131.69 56.52 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.498 1.519 . . . . 0.0 108.343 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -139.75 150.34 44.67 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 121.989 0.899 . . . . 0.0 108.863 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -127.25 -49.79 1.43 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.958 2.103 . . . . 0.0 108.021 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 p -108.46 133.76 52.17 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.124 1.77 . . . . 0.0 109.033 -176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.0 p -87.48 74.21 9.37 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 126.171 1.788 . . . . 0.0 111.231 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -172.54 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.207 2.203 . . . . 0.0 105.99 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -50.17 -45.86 53.77 Favored 'General case' 0 C--N 1.372 1.573 0 C-N-CA 131.096 3.758 . . . . 0.0 117.999 174.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -89.49 -17.77 28.0 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 127.199 2.2 . . . . 0.0 112.693 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 p -90.21 -0.2 57.5 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 127.384 2.274 . . . . 0.0 110.751 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 t -95.04 -37.08 7.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.394 0 C-N-CA 126.857 2.063 . . . . 0.0 108.387 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.13 -21.76 64.91 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 127.605 2.362 . . . . 0.0 114.57 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.0 -50.08 6.9 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.769 2.428 . . . . 0.0 111.949 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.17 -24.74 60.6 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.549 2.74 . . . . 0.0 115.241 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.88 -54.47 4.04 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 127.255 2.222 . . . . 0.0 110.47 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.06 -112.18 0.27 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.824 1.65 . . . . 0.0 107.041 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -179.88 60.52 0.01 OUTLIER 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.491 1.516 . . . . 0.0 107.189 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -144.87 179.67 7.18 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -144.98 20.07 1.61 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -176.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.04 121.44 44.98 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.55 139.48 5.39 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 104.923 -3.271 . . . . 0.0 104.923 -170.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -145.02 159.43 42.96 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 101.406 -3.553 . . . . 0.0 101.406 173.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.7 p -122.76 170.68 9.82 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 ttt -99.03 -122.1 0.14 Allowed 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.458 1.503 . . . . 0.0 108.819 -168.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -86.13 -41.55 14.63 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.978 1.711 . . . . 0.0 112.695 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -144.72 -1.06 0.9 Allowed 'General case' 0 C--N 1.358 0.97 0 CA-C-O 117.308 -1.329 . . . . 0.0 113.283 -168.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -144.46 154.07 42.55 Favored 'General case' 0 CA--C 1.49 -1.352 0 CA-C-N 122.313 2.324 . . . . 0.0 109.891 -169.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -136.82 173.12 12.05 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.49 149.14 35.46 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.13 -2.545 . . . . 0.0 104.13 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -143.99 62.84 1.35 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 -162.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.26 1.618 0 C-N-CA 124.492 1.117 . . . . 0.0 108.47 177.26 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.877 0 CA-C-O 120.849 0.357 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -130.15 162.39 28.97 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.612 1.965 . . . . 0.0 106.002 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -98.92 144.92 27.56 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 127.359 2.264 . . . . 0.0 107.853 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -128.07 49.88 2.12 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.63 158.18 3.76 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 C-N-CA 129.032 2.933 . . . . 0.0 104.314 172.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -95.2 135.29 36.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 124.9 1.28 . . . . 0.0 109.713 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.6 t -134.75 147.72 50.08 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 122.299 1.047 . . . . 0.0 109.096 -172.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -128.32 -46.03 1.35 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.311 2.245 . . . . 0.0 107.871 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 p -107.89 139.65 42.18 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 125.586 1.554 . . . . 0.0 110.591 -171.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 p -89.91 85.21 6.3 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.031 1.733 . . . . 0.0 108.734 170.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -177.36 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.353 0.756 0 N-CA-C 103.53 -2.767 . . . . 0.0 103.53 -169.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.03 -34.88 77.03 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 131.264 3.826 . . . . 0.0 117.104 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -82.24 -28.16 32.05 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.368 2.667 . . . . 0.0 112.619 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.1 p -89.79 -8.47 52.05 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.476 1.911 . . . . 0.0 111.31 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 t -98.64 -25.29 4.04 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 125.346 1.458 . . . . 0.0 109.655 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 m -84.19 -19.84 33.37 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 124.56 1.144 . . . . 0.0 112.432 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -89.92 -35.21 15.72 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.052 2.141 . . . . 0.0 112.677 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -85.8 -20.19 29.57 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.525 1.93 . . . . 0.0 113.291 -177.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.9 -63.16 1.32 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.224 2.21 . . . . 0.0 109.261 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -101.83 -114.09 0.2 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 125.736 1.615 . . . . 0.0 107.808 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.7 59.38 0.01 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 -176.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -145.07 174.45 11.04 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.1 p -145.14 36.18 1.11 Allowed 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.01 117.51 10.84 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 102.878 -3.008 . . . . 0.0 102.878 173.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.83 129.47 1.07 Allowed Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 106.556 -2.617 . . . . 0.0 106.556 -172.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -125.83 -145.61 0.33 Allowed 'General case' 0 C--N 1.36 1.032 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -175.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -154.53 174.23 15.21 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.21 -121.92 0.13 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.72 2.008 . . . . 0.0 108.141 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -85.37 -42.15 14.82 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.31 1.444 . . . . 0.0 112.95 175.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mmmp? -144.82 -2.36 0.83 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.48 -1.248 . . . . 0.0 114.024 -166.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -144.9 150.73 37.54 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 121.912 2.142 . . . . 0.0 108.776 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -138.3 174.14 10.86 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.91 138.2 26.76 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -136.3 69.91 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 -161.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.26 1.617 0 C-N-CA 125.182 1.393 . . . . 0.0 109.978 179.798 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.165 0 CA-C-O 121.612 0.72 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -144.01 133.62 23.58 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -122.29 163.44 19.67 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -144.82 54.7 1.24 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.21 -171.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 126.729 2.011 . . . . 0.0 106.546 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.521 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.8 p -109.97 132.67 53.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 125.156 1.383 . . . . 0.0 108.17 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -135.36 149.99 49.83 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 122.262 1.03 . . . . 0.0 109.726 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -127.64 -47.39 1.41 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.373 2.269 . . . . 0.0 107.601 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 p -109.3 132.35 54.2 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.813 2.045 . . . . 0.0 110.06 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -89.89 80.33 6.48 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 126.28 1.832 . . . . 0.0 109.885 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -175.61 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.032 2.533 . . . . 0.0 104.71 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.47 -24.38 67.8 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 129.929 3.291 . . . . 0.0 115.361 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -84.69 -23.43 29.4 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.861 2.064 . . . . 0.0 111.771 -175.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.96 -6.0 56.13 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.458 2.303 . . . . 0.0 111.389 171.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.9 t -97.79 -34.02 4.55 Favored 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 125.942 1.697 . . . . 0.0 109.621 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 m -73.46 -18.78 61.09 Favored 'General case' 0 C--N 1.369 1.43 0 C-N-CA 126.576 1.95 . . . . 0.0 114.436 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -47.76 7.94 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 127.318 2.247 . . . . 0.0 111.054 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.82 3.248 . . . . 0.0 115.922 177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.34 -66.25 0.94 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 126.309 1.844 . . . . 0.0 110.254 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -103.05 -110.6 0.24 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.085 1.754 . . . . 0.0 108.127 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -178.85 63.92 0.01 OUTLIER 'General case' 0 C--N 1.353 0.724 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -145.02 -175.56 4.74 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 m -128.35 -20.28 3.72 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.308 1.443 . . . . 0.0 107.77 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -94.97 122.81 38.01 Favored 'General case' 0 C--N 1.369 1.446 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 -167.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.73 132.89 1.99 Allowed Glycine 0 CA--C 1.488 -1.648 0 N-CA-C 106.934 -2.466 . . . . 0.0 106.934 -166.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -145.01 158.13 43.91 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 -174.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 p -118.35 169.74 9.49 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 124.295 1.038 . . . . 0.0 108.91 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -100.07 -119.68 0.15 Allowed 'General case' 0 C--N 1.361 1.067 0 C-N-CA 125.468 1.507 . . . . 0.0 108.168 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -85.0 -39.51 17.97 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.713 1.205 . . . . 0.0 114.189 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -138.34 -19.42 1.1 Allowed 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -162.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -141.25 152.39 44.5 Favored 'General case' 0 CA--C 1.491 -1.304 0 CA-C-N 121.479 1.945 . . . . 0.0 108.854 -167.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -135.52 174.05 11.04 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.89 150.47 37.09 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -144.37 75.11 1.45 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.26 1.642 0 C-N-CA 124.887 1.275 . . . . 0.0 108.975 176.786 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.151 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -125.12 164.34 20.44 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.137 1.775 . . . . 0.0 106.992 -172.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 p -125.82 168.76 13.38 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -150.4 55.43 0.92 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -102.85 -167.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.23 0 C-N-CA 126.251 1.82 . . . . 0.0 106.278 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.568 ' H ' HG12 ' A' ' 5' ' ' VAL . 9.2 p -114.03 134.76 54.64 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.326 1.451 . . . . 0.0 108.593 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.66 150.74 42.31 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-O 121.822 0.82 . . . . 0.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.94 -48.34 1.13 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.544 1.938 . . . . 0.0 107.637 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.7 p -107.83 133.9 51.54 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.366 1.866 . . . . 0.0 109.332 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -89.38 72.04 8.06 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 126.505 1.922 . . . . 0.0 110.712 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -168.21 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.355 0.825 0 C-N-CA 127.789 2.436 . . . . 0.0 106.838 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -62.92 -41.65 99.53 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 129.245 3.018 . . . . 0.0 115.948 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -90.06 -19.2 24.64 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.049 2.139 . . . . 0.0 112.841 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 p -90.05 -0.56 57.65 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 127.091 2.156 . . . . 0.0 111.129 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -95.12 -33.24 4.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.229 0 C-N-CA 127.577 2.351 . . . . 0.0 109.176 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 m -80.86 -14.67 57.81 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.896 1.678 . . . . 0.0 113.132 170.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -87.88 -55.08 3.92 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 127.027 2.131 . . . . 0.0 112.005 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -79.13 -14.06 59.35 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 126.702 2.001 . . . . 0.0 114.587 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.3 tp -89.97 -48.35 7.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.096 1.758 . . . . 0.0 110.606 174.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -115.78 -115.16 0.33 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -173.98 58.32 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -145.06 -178.96 6.31 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.2 m -129.28 -15.36 4.14 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.297 1.439 . . . . 0.0 107.641 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.99 123.31 38.39 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 125.938 1.695 . . . . 0.0 107.429 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.15 146.86 5.63 Favored Glycine 0 CA--C 1.486 -1.738 0 N-CA-C 104.588 -3.405 . . . . 0.0 104.588 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 mttm -135.79 -151.34 0.41 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.4 p -155.05 175.24 14.08 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 168.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.94 -123.27 0.15 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.303 1.841 . . . . 0.0 107.175 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -84.86 -41.29 16.17 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.753 1.621 . . . . 0.0 113.579 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -144.97 -1.56 0.85 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.506 -1.235 . . . . 0.0 113.636 -164.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -144.98 152.69 40.57 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 121.58 1.991 . . . . 0.0 109.306 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -135.85 170.41 16.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.99 139.43 27.48 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -142.41 68.13 1.32 Allowed 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 -163.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.259 1.571 0 C-N-CA 124.858 1.263 . . . . 0.0 108.219 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.335 0 CA-C-O 120.96 0.41 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -118.58 163.77 16.3 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 126.766 2.026 . . . . 0.0 105.851 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.58 173.26 6.4 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.445 1.098 . . . . 0.0 108.679 -175.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.17 45.48 2.61 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.415 1.486 . . . . 0.0 107.369 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.9 t -102.91 157.33 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.115 0 C-N-CA 128.681 2.793 . . . . 0.0 104.278 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -94.87 139.37 31.4 Favored 'General case' 0 C--N 1.366 1.288 0 C-N-CA 125.063 1.345 . . . . 0.0 110.889 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 t -144.62 148.48 34.37 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 122.078 0.942 . . . . 0.0 108.47 -176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -128.59 -45.12 1.34 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.173 2.189 . . . . 0.0 107.995 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 p -111.29 139.51 46.62 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 125.923 1.689 . . . . 0.0 109.675 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 t -89.93 80.79 6.37 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.749 2.02 . . . . 0.0 109.18 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -177.25 -39.25 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.584 2.354 . . . . 0.0 104.85 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -53.37 -46.1 69.47 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 131.105 3.762 . . . . 0.0 117.739 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -89.93 -17.63 27.6 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 126.432 1.893 . . . . 0.0 112.199 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 p -90.12 0.66 57.04 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.273 2.229 . . . . 0.0 111.826 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -95.05 -28.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 126.354 1.862 . . . . 0.0 109.343 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.9 m -85.67 -9.1 57.72 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 124.85 1.26 . . . . 0.0 112.54 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -89.83 -34.93 15.95 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 127.476 2.31 . . . . 0.0 111.403 175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -84.99 -26.79 26.89 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 127.31 2.244 . . . . 0.0 112.818 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.9 tp -89.91 -45.47 9.21 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.646 1.578 . . . . 0.0 110.614 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -116.6 -118.12 0.32 Allowed 'General case' 0 C--N 1.363 1.153 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -173.86 59.34 0.02 OUTLIER 'General case' 0 C--N 1.351 0.648 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.88 -170.71 3.47 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 105.823 -1.918 . . . . 0.0 105.823 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 p -132.84 -32.13 1.27 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 124.935 1.294 . . . . 0.0 108.471 -172.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 124.27 38.83 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.702 1.601 . . . . 0.0 107.701 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.49 104.63 0.18 Allowed Glycine 0 CA--C 1.49 -1.482 0 N-CA-C 105.811 -2.916 . . . . 0.0 105.811 -166.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -108.72 -147.83 0.42 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 129.06 2.944 . . . . 0.0 106.48 -167.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 p -154.94 175.15 14.16 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.816 0.817 . . . . 0.0 110.173 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.18 -124.74 0.11 Allowed 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.824 2.45 . . . . 0.0 106.746 171.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -86.69 -38.14 17.28 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 125.368 1.467 . . . . 0.0 114.011 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mmmp? -142.19 -7.28 0.92 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.021 -1.466 . . . . 0.0 114.338 -162.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -142.3 151.79 42.34 Favored 'General case' 0 CA--C 1.491 -1.316 0 CA-C-N 122.38 2.355 . . . . 0.0 109.423 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -122.28 -171.42 2.26 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.95 141.94 29.42 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -144.41 64.94 1.29 Allowed 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -162.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.26 1.615 0 C-N-CA 125.075 1.35 . . . . 0.0 108.226 -177.842 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.256 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -99.21 162.85 12.82 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 126.3 1.84 . . . . 0.0 109.568 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p -104.97 -177.91 3.5 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.865 1.666 . . . . 0.0 107.721 175.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.94 49.29 0.99 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -93.87 -176.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 126.207 1.803 . . . . 0.0 106.911 170.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' HG12 ' A' ' 5' ' ' VAL . 5.7 p -110.19 134.93 51.72 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -102.86 172.04 7.05 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.75 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.7 p -126.45 -56.11 1.42 Allowed 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 165.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.8 p -128.23 159.74 34.28 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 124.715 1.206 . . . . 0.0 108.964 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 t -90.07 83.38 6.07 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.714 2.806 . . . . 0.0 107.61 166.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 tttp 179.75 -45.94 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.981 -2.599 . . . . 0.0 103.981 -174.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -70.88 -38.84 73.09 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.369 3.067 . . . . 0.0 115.542 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -89.72 -25.4 21.2 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.985 2.514 . . . . 0.0 112.893 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.9 p -90.04 3.78 52.2 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 127.06 2.144 . . . . 0.0 111.223 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.6 t -95.05 -30.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.365 1.249 0 C-N-CA 127.481 2.312 . . . . 0.0 108.8 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.9 m -71.02 -19.85 62.46 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 125.74 1.616 . . . . 0.0 115.158 166.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -87.38 -40.67 14.21 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.781 2.032 . . . . 0.0 112.026 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -80.41 -20.22 44.45 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 127.232 2.213 . . . . 0.0 113.583 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.99 -65.47 1.01 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.568 2.347 . . . . 0.0 109.28 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -100.31 -113.7 0.18 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.806 1.642 . . . . 0.0 108.364 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -175.86 56.8 0.01 OUTLIER 'General case' 0 C--N 1.351 0.651 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 t -145.01 -172.89 3.94 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 p -131.62 -33.0 1.45 Allowed 'General case' 0 C--N 1.359 1.001 0 C-N-CA 125.391 1.476 . . . . 0.0 107.984 -173.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 123.55 38.41 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 125.433 1.493 . . . . 0.0 107.764 -169.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.64 130.62 1.14 Allowed Glycine 0 CA--C 1.484 -1.892 0 N-CA-C 105.953 -2.859 . . . . 0.0 105.953 -164.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -126.29 -141.6 0.28 Allowed 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 -166.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.1 -179.85 8.46 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.3 ttt -98.83 -125.85 0.16 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.948 1.699 . . . . 0.0 107.181 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -85.45 -39.62 17.32 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.977 1.711 . . . . 0.0 113.219 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -137.53 -10.87 1.62 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.393 -1.289 . . . . 0.0 114.202 -165.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.04 148.18 33.42 Favored 'General case' 0 CA--C 1.487 -1.464 0 CA-C-N 121.607 2.003 . . . . 0.0 108.299 -170.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -135.16 -178.73 5.23 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -145.18 154.87 42.88 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 176.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -142.6 61.2 1.43 Allowed 'General case' 0 CA--C 1.505 -0.77 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.258 1.55 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 173.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.271 0 CA-C-O 121.101 0.476 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -122.51 -8.1 8.59 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 126.073 1.749 . . . . 0.0 109.017 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.93 161.62 37.4 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -145.56 54.24 1.18 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.591 HG12 ' H ' ' A' ' 6' ' ' SER . 1.9 t -103.64 -169.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.234 0 C-N-CA 127.135 2.174 . . . . 0.0 105.667 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.591 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -114.08 129.53 56.61 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.33 1.452 . . . . 0.0 107.96 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -137.55 151.8 48.76 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.16 0.981 . . . . 0.0 109.848 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 p -125.8 -44.57 1.79 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 127.393 2.277 . . . . 0.0 108.794 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.2 p -112.57 138.76 48.88 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.166 1.786 . . . . 0.0 111.117 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -86.79 84.45 7.36 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 126.759 2.024 . . . . 0.0 108.705 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -178.7 -39.18 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 127.815 2.446 . . . . 0.0 104.535 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.96 -31.62 72.31 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 129.171 2.988 . . . . 0.0 115.784 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -87.35 -25.9 23.63 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.204 1.802 . . . . 0.0 112.202 -170.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 p -90.08 -7.83 52.86 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.389 2.276 . . . . 0.0 111.789 170.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.97 -29.02 4.06 Favored 'Isoleucine or valine' 0 C--N 1.368 1.391 0 C-N-CA 126.626 1.971 . . . . 0.0 109.498 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -78.51 -22.87 46.74 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 125.954 1.702 . . . . 0.0 112.518 170.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -89.19 -32.43 17.46 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.172 2.189 . . . . 0.0 111.599 -174.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.73 -25.91 32.45 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.204 1.802 . . . . 0.0 112.815 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -90.05 -50.73 5.85 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.903 2.081 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -118.22 -116.19 0.32 Allowed 'General case' 0 C--N 1.361 1.066 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -172.07 59.17 0.03 OUTLIER 'General case' 0 C--N 1.354 0.777 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.95 160.13 41.82 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 -175.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 p -119.5 -18.0 8.58 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.695 1.998 . . . . 0.0 107.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 108.97 21.09 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.329 1.852 . . . . 0.0 106.8 -169.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.7 126.54 0.91 Allowed Glycine 0 CA--C 1.486 -1.757 0 N-CA-C 106.611 -2.596 . . . . 0.0 106.611 -166.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -127.06 -149.48 0.41 Allowed 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -169.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -155.02 172.96 17.25 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 32.6 ttm -99.38 -121.23 0.15 Allowed 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.224 1.81 . . . . 0.0 108.112 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -85.03 -43.2 14.15 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.616 1.567 . . . . 0.0 112.838 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -140.93 -6.55 1.1 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.562 -1.208 . . . . 0.0 113.972 -165.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -144.65 152.03 39.86 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-N 121.566 1.985 . . . . 0.0 108.842 -169.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -128.23 168.85 14.88 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.659 1.584 . . . . 0.0 106.799 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -135.19 152.49 51.62 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 169.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -139.39 56.77 1.66 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -160.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.262 1.711 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 165.403 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.17 0 CA-C-O 121.256 0.551 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -148.11 135.6 20.63 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.74 170.92 7.85 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -141.87 45.31 1.69 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.2 t -94.99 163.49 2.26 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 C-N-CA 128.769 2.828 . . . . 0.0 105.135 170.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 p -95.57 139.86 31.22 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 125.144 1.378 . . . . 0.0 110.086 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -136.18 151.35 49.63 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 122.034 0.921 . . . . 0.0 109.046 -174.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -123.34 -54.06 1.79 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 127.125 2.17 . . . . 0.0 108.277 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -111.44 144.2 41.04 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.259 1.824 . . . . 0.0 109.581 -171.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 p -89.88 77.19 7.01 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 125.825 1.65 . . . . 0.0 110.177 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -173.19 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.832 0 C-N-CA 129.668 3.187 . . . . 0.0 105.305 -174.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.9 -26.74 68.45 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 129.391 3.076 . . . . 0.0 116.333 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . 0.424 ' HG2' ' HG3' ' A' ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 -82.26 -30.56 30.61 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 128.735 2.814 . . . . 0.0 111.755 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 p -90.03 2.61 54.99 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.179 1.792 . . . . 0.0 111.738 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -103.9 -31.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 125.631 1.572 . . . . 0.0 109.814 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.5 m -87.5 -18.52 29.65 Favored 'General case' 0 C--N 1.374 1.655 0 CA-C-N 119.79 1.177 . . . . 0.0 113.428 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -89.17 -28.98 19.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.44 1.496 . . . . 0.0 111.438 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.53 -29.02 33.69 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 127.009 2.124 . . . . 0.0 112.921 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.1 -48.26 7.3 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.761 1.625 . . . . 0.0 110.959 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -122.38 -116.59 0.3 Allowed 'General case' 0 C--N 1.361 1.1 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -173.09 57.77 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -145.23 173.56 11.84 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 p -132.3 0.79 3.76 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 124.895 1.278 . . . . 0.0 108.7 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.02 108.77 21.21 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 176.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.38 127.11 1.03 Allowed Glycine 0 CA--C 1.489 -1.591 0 N-CA-C 107.701 -2.16 . . . . 0.0 107.701 -170.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -144.97 157.35 44.16 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 102.572 -3.121 . . . . 0.0 102.572 -172.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.48 171.85 7.2 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.148 1.379 . . . . 0.0 110.556 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.2 ttt -96.7 -123.17 0.12 Allowed 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.698 1.999 . . . . 0.0 108.65 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -84.91 -38.22 19.64 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 126.196 1.799 . . . . 0.0 113.792 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -133.02 -24.7 1.87 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -163.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -144.06 148.08 34.69 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-N 120.644 1.565 . . . . 0.0 108.892 -163.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . 0.424 ' HG3' ' HG2' ' A' ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -131.35 176.58 8.17 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 -175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.57 151.79 39.58 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.17 -2.53 . . . . 0.0 104.17 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -141.21 64.42 1.42 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 -161.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--O 1.256 1.432 0 C-N-CA 124.954 1.302 . . . . 0.0 107.999 175.53 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.361 0 CA-C-O 121.321 0.582 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -120.38 147.26 45.28 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.493 1.517 . . . . 0.0 107.852 -171.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 p -112.06 153.52 26.77 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.147 2.179 . . . . 0.0 106.54 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -129.53 49.15 2.29 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.678 1.591 . . . . 0.0 106.719 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.46 155.91 4.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 C-N-CA 128.765 2.826 . . . . 0.0 104.152 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -95.13 136.06 35.93 Favored 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.058 1.343 . . . . 0.0 110.782 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.5 t -141.97 149.16 39.72 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 122.077 0.941 . . . . 0.0 108.617 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 p -132.08 -47.86 0.93 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.653 1.981 . . . . 0.0 106.84 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 p -99.93 127.73 46.09 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.863 2.065 . . . . 0.0 109.441 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.7 p -88.7 72.72 8.63 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 127.221 2.209 . . . . 0.0 111.369 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -177.64 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.444 2.298 . . . . 0.0 106.674 -175.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.61 -40.8 96.13 Favored 'General case' 0 C--N 1.371 1.511 0 C-N-CA 129.001 2.92 . . . . 0.0 115.867 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -89.69 -15.86 31.66 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.378 2.271 . . . . 0.0 112.284 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.0 p -90.05 -0.88 57.83 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.607 2.363 . . . . 0.0 111.09 171.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.07 -41.67 12.13 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 C-N-CA 126.377 1.871 . . . . 0.0 108.564 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.36 -8.79 57.44 Favored 'General case' 0 C--N 1.367 1.353 0 C-N-CA 125.916 1.686 . . . . 0.0 114.878 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.98 -52.6 4.88 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 127.098 2.159 . . . . 0.0 111.067 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -77.41 -16.24 58.93 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.458 2.703 . . . . 0.0 114.829 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.88 -63.51 1.27 Allowed 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.784 2.034 . . . . 0.0 108.988 173.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -99.66 -112.32 0.18 Allowed 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.778 1.631 . . . . 0.0 108.873 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 p30 178.3 63.73 0.01 OUTLIER 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.297 1.439 . . . . 0.0 107.33 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -145.01 -175.93 4.89 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 p -128.0 -30.43 2.46 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.511 1.125 . . . . 0.0 108.503 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.82 121.63 36.61 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.114 1.765 . . . . 0.0 107.063 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.55 103.07 0.16 Allowed Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 105.753 -2.939 . . . . 0.0 105.753 -167.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -109.86 -139.46 0.38 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.776 2.43 . . . . 0.0 106.689 -167.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 p -155.01 174.45 15.16 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-O 121.728 0.775 . . . . 0.0 109.892 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.9 ttt -99.32 -121.56 0.15 Allowed 'General case' 0 C--N 1.363 1.192 0 C-N-CA 127.211 2.204 . . . . 0.0 107.973 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -84.81 -42.22 15.34 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.227 1.811 . . . . 0.0 113.204 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.6 -10.79 1.38 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.736 -1.126 . . . . 0.0 113.866 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -144.97 152.2 39.8 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 121.511 1.96 . . . . 0.0 109.395 -170.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -139.92 -171.34 3.15 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.93 145.17 31.44 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 -169.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -143.87 59.66 1.37 Allowed 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -162.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.259 1.561 0 C-N-CA 125.177 1.391 . . . . 0.0 108.298 -178.809 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.231 0 CA-C-O 120.823 0.344 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -124.13 119.89 30.77 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.511 1.525 . . . . 0.0 107.248 -172.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p -127.02 149.14 50.04 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.673 1.989 . . . . 0.0 105.92 -176.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -131.62 51.36 2.15 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.528 1.531 . . . . 0.0 107.165 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -102.56 157.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 C-N-CA 128.54 2.736 . . . . 0.0 104.637 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -94.96 134.41 37.66 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.856 1.262 . . . . 0.0 110.464 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -141.48 149.75 41.33 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 122.293 1.044 . . . . 0.0 108.878 -174.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -130.81 -46.92 1.04 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.128 2.171 . . . . 0.0 107.474 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -104.3 133.02 49.9 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 126.498 1.919 . . . . 0.0 109.607 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -85.99 76.5 9.82 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 126.796 2.038 . . . . 0.0 110.711 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.18 -46.79 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -175.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -57.46 -42.84 83.32 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 130.061 3.344 . . . . 0.0 116.986 -175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -90.02 -23.24 21.53 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 126.306 1.842 . . . . 0.0 111.337 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -89.76 10.57 22.97 Favored 'General case' 0 C--N 1.371 1.531 0 C-N-CA 127.313 2.245 . . . . 0.0 111.484 172.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.13 -42.68 12.66 Favored 'Isoleucine or valine' 0 C--N 1.365 1.273 0 C-N-CA 127.333 2.253 . . . . 0.0 106.989 169.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -81.91 2.17 31.77 Favored 'General case' 0 C--N 1.366 1.291 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -89.79 -44.49 9.93 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 124.994 1.317 . . . . 0.0 110.989 170.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.38 -16.68 41.94 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 126.35 1.86 . . . . 0.0 113.628 -175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -90.07 -68.2 0.8 Allowed 'General case' 0 C--N 1.365 1.265 0 C-N-CA 127.6 2.36 . . . . 0.0 109.308 171.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -104.13 -114.65 0.23 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 125.907 1.683 . . . . 0.0 108.229 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -178.13 82.18 0.02 OUTLIER 'General case' 0 C--N 1.354 0.766 0 C-N-CA 126.056 1.742 . . . . 0.0 106.682 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -134.11 176.57 8.47 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 p -144.96 28.78 1.23 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 162.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.7 126.4 22.12 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.48 156.18 26.38 Favored Glycine 0 N--CA 1.436 -1.34 0 N-CA-C 105.006 -3.238 . . . . 0.0 105.006 -172.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -145.01 174.73 10.78 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 p -137.68 173.19 11.91 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 ttt -101.73 -122.13 0.17 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.602 1.561 . . . . 0.0 109.0 -171.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -85.03 -37.9 19.82 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.725 1.61 . . . . 0.0 112.933 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -139.12 -16.46 1.08 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.781 -1.58 . . . . 0.0 114.069 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -144.86 153.73 41.91 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-N 122.325 2.33 . . . . 0.0 110.49 -164.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -124.07 177.84 5.6 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 170.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 t -144.06 135.25 25.55 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 104.052 -2.573 . . . . 0.0 104.052 -171.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -139.27 83.96 1.97 Allowed 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -163.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 C--O 1.259 1.566 0 C-N-CA 124.914 1.286 . . . . 0.0 110.946 -179.048 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -146.02 159.25 43.53 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -124.47 171.18 10.17 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.774 2.43 . . . . 0.0 105.856 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -148.13 57.25 1.08 Allowed 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 6' ' ' SER . 1.3 t -99.64 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.32 0 C-N-CA 126.451 1.9 . . . . 0.0 106.811 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.526 ' H ' HG12 ' A' ' 5' ' ' VAL . 11.3 p -109.13 133.13 53.41 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.458 1.503 . . . . 0.0 108.841 173.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -140.51 150.64 43.98 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.11 -47.89 1.01 Allowed 'General case' 0 C--N 1.359 0.997 0 C-N-CA 126.141 1.776 . . . . 0.0 107.252 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -104.79 130.1 52.94 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.595 1.958 . . . . 0.0 108.736 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -88.83 77.67 7.75 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 126.397 1.879 . . . . 0.0 109.651 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -171.98 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.355 0.82 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -55.17 -48.85 73.19 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 131.337 3.855 . . . . 0.0 117.087 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -89.98 -19.44 24.47 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 127.365 2.266 . . . . 0.0 112.559 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.2 p -90.14 -2.07 58.03 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 127.526 2.33 . . . . 0.0 111.263 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.4 t -95.0 -30.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.365 1.281 0 C-N-CA 127.026 2.13 . . . . 0.0 108.936 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.6 m -74.05 -16.7 61.04 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 125.785 1.634 . . . . 0.0 114.496 168.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -87.18 -52.86 5.17 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.228 2.211 . . . . 0.0 111.858 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -81.24 -9.51 59.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 127.145 2.178 . . . . 0.0 114.972 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -90.01 -64.78 1.09 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 127.012 2.125 . . . . 0.0 109.072 170.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -99.45 -112.94 0.17 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.32 1.848 . . . . 0.0 108.252 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -176.47 59.04 0.01 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -144.99 178.97 7.66 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -145.11 19.0 1.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.62 124.11 44.45 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 103.719 -2.696 . . . . 0.0 103.719 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.43 122.12 0.67 Allowed Glycine 0 CA--C 1.481 -2.066 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -117.37 -143.25 0.37 Allowed 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.305 2.242 . . . . 0.0 105.35 -169.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -155.13 174.49 15.12 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.6 ttt -96.16 -125.48 0.13 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.138 2.175 . . . . 0.0 107.42 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -86.18 -38.29 17.83 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.46 1.504 . . . . 0.0 113.576 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -134.4 -14.8 2.23 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -145.08 152.16 39.64 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 121.567 1.985 . . . . 0.0 110.565 -167.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.72 166.13 13.15 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 127.833 2.453 . . . . 0.0 104.529 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -145.01 130.63 18.92 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -134.03 63.77 1.62 Allowed 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 125.532 1.533 . . . . 0.0 107.327 -160.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 C--O 1.258 1.543 0 C-N-CA 124.561 1.144 . . . . 0.0 109.909 177.282 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -115.0 158.97 21.34 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 125.985 1.714 . . . . 0.0 107.51 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 p -115.36 156.88 24.71 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.553 1.941 . . . . 0.0 106.285 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -141.01 51.39 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.604 HG12 ' H ' ' A' ' 6' ' ' SER . 1.8 t -94.08 -169.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 127.048 2.139 . . . . 0.0 107.156 172.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.604 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.8 p -115.61 133.45 56.02 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.419 1.487 . . . . 0.0 108.075 174.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -142.95 148.94 37.7 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p -130.41 -48.39 1.08 Allowed 'General case' 0 C--N 1.357 0.931 0 C-N-CA 126.41 1.884 . . . . 0.0 107.168 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 p -101.35 131.39 47.44 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 126.483 1.913 . . . . 0.0 109.782 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 p -88.82 71.78 8.62 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 127.114 2.166 . . . . 0.0 110.974 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.1 -41.81 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -174.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -57.22 -45.76 83.57 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 129.923 3.289 . . . . 0.0 117.352 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -89.72 -20.37 23.67 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.18 2.192 . . . . 0.0 112.716 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.3 p -89.98 0.89 56.85 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.077 2.151 . . . . 0.0 111.459 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -94.91 -29.83 4.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.046 2.138 . . . . 0.0 108.72 176.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.469 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 74.7 m -75.57 -16.63 60.23 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.545 1.538 . . . . 0.0 113.856 166.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -90.01 -43.48 10.5 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 125.221 1.408 . . . . 0.0 112.764 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -90.06 -14.37 33.96 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 126.086 1.754 . . . . 0.0 114.307 -173.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.85 -63.24 1.31 Allowed 'General case' 0 C--N 1.365 1.264 0 C-N-CA 126.6 1.96 . . . . 0.0 108.975 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.581 ' HE1' ' SG ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -104.73 -113.27 0.24 Allowed 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 175.551 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -177.17 65.25 0.02 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.315 0.961 . . . . 0.0 108.757 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 t -145.11 -166.91 2.54 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.2 m -134.63 -33.05 0.98 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.569 1.548 . . . . 0.0 107.853 -173.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.9 125.27 39.45 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 124.673 1.189 . . . . 0.0 107.847 -168.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.38 133.98 1.68 Allowed Glycine 0 CA--C 1.484 -1.863 0 N-CA-C 106.321 -2.712 . . . . 0.0 106.321 -162.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -133.63 -140.35 0.19 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -169.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 p -155.1 179.28 9.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.3 ttm -96.16 -126.18 0.13 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.029 2.131 . . . . 0.0 107.27 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -86.51 -38.72 16.95 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.579 1.552 . . . . 0.0 113.432 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 mmmp? -142.37 -1.52 1.17 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.45 -165.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -145.05 153.07 41.06 Favored 'General case' 0 CA--C 1.492 -1.277 0 CA-C-N 122.172 2.26 . . . . 0.0 110.269 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -131.0 174.44 10.0 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 104.254 -2.499 . . . . 0.0 104.254 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.581 ' SG ' ' HE1' ' A' ' 21' ' ' HIS . 2.4 t -145.05 140.66 28.26 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 172.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -133.13 67.37 1.53 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 -162.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.262 1.72 0 C-N-CA 126.013 1.725 . . . . 0.0 111.135 -173.726 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.165 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -129.6 159.18 37.18 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.709 1.604 . . . . 0.0 108.057 -166.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 p -124.55 160.11 29.11 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 172.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -146.86 52.67 1.09 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -95.98 -172.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 126.584 1.954 . . . . 0.0 106.769 172.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.543 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -112.72 132.85 55.02 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.018 1.327 . . . . 0.0 107.534 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.8 p -104.31 167.07 9.99 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 123.432 0.693 . . . . 0.0 111.48 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -131.38 -52.56 1.02 Allowed 'General case' 0 C--N 1.36 1.048 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 168.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -123.59 158.23 31.91 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 126.016 1.727 . . . . 0.0 108.474 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 p -90.02 80.62 6.34 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 126.986 2.114 . . . . 0.0 109.959 163.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -171.57 -36.73 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.98 -27.69 65.63 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 130.685 3.594 . . . . 0.0 116.992 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -83.55 -27.19 29.48 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.498 2.719 . . . . 0.0 112.969 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 p -89.83 -7.03 55.25 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.067 1.747 . . . . 0.0 111.303 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.99 -31.25 4.06 Favored 'Isoleucine or valine' 0 C--N 1.367 1.35 0 C-N-CA 125.496 1.518 . . . . 0.0 109.851 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.3 m -84.84 -17.69 37.23 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.953 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -89.8 -33.36 16.55 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.173 2.189 . . . . 0.0 111.982 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -27.45 29.26 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 125.964 1.705 . . . . 0.0 112.517 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 tp -89.77 -45.35 9.35 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.692 1.997 . . . . 0.0 110.509 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -122.25 -116.67 0.3 Allowed 'General case' 0 C--N 1.362 1.112 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -173.55 63.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.266 0.0 OUTLIER -143.67 157.27 44.53 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -175.2 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 p -142.06 35.82 1.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.744 2.418 . . . . 0.0 104.658 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.1 107.75 6.23 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 171.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.46 126.4 0.87 Allowed Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 105.605 -2.998 . . . . 0.0 105.605 -169.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -127.05 -146.25 0.33 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 104.381 -2.451 . . . . 0.0 104.381 -168.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.2 ttt -109.03 -132.48 0.32 Allowed 'General case' 0 C--N 1.362 1.142 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -85.1 -36.03 21.41 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.783 1.633 . . . . 0.0 113.407 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -137.06 -7.38 1.82 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.846 -1.073 . . . . 0.0 113.035 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -144.76 156.2 43.93 Favored 'General case' 0 CA--C 1.49 -1.328 0 CA-C-N 121.117 1.78 . . . . 0.0 109.044 -164.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -137.32 179.64 6.28 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -176.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.03 152.01 39.45 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -142.17 60.6 1.46 Allowed 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -165.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.263 1.765 0 C-N-CA 127.782 2.433 . . . . 0.0 113.327 166.306 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.365 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -115.57 -28.58 6.75 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 125.756 1.622 . . . . 0.0 108.895 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -126.0 -177.32 3.9 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -147.83 49.38 1.07 Allowed 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 6' ' ' SER . 2.0 t -101.01 -170.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.286 0 C-N-CA 126.307 1.843 . . . . 0.0 106.323 173.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.629 ' H ' HG12 ' A' ' 5' ' ' VAL . 10.2 p -114.49 134.32 55.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.713 1.605 . . . . 0.0 108.379 175.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -136.44 150.55 48.79 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -123.99 -53.05 1.75 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 127.197 2.199 . . . . 0.0 107.669 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -116.55 145.03 43.64 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.133 1.773 . . . . 0.0 108.885 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -89.26 70.68 8.25 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.232 2.213 . . . . 0.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.04 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.03 2.532 . . . . 0.0 105.041 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.34 -41.92 88.86 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 128.58 2.752 . . . . 0.0 116.463 -174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.4 m0 -89.97 -23.83 21.43 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 126.766 2.027 . . . . 0.0 112.106 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 p -90.14 12.36 18.12 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 126.962 2.105 . . . . 0.0 111.628 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.98 -51.58 10.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.316 0 C-N-CA 127.206 2.202 . . . . 0.0 107.342 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.41 -14.96 62.77 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -86.47 -38.56 17.17 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 125.817 1.647 . . . . 0.0 111.416 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -84.98 -11.0 56.46 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.276 1.83 . . . . 0.0 112.942 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -89.98 -66.42 0.93 Allowed 'General case' 0 C--N 1.361 1.102 0 C-N-CA 128.603 2.761 . . . . 0.0 110.148 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -109.35 -112.59 0.31 Allowed 'General case' 0 C--N 1.359 0.985 0 C-N-CA 126.667 1.987 . . . . 0.0 107.04 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -172.71 55.57 0.02 OUTLIER 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.02 150.67 37.29 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -112.68 -15.74 12.93 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 126.11 1.764 . . . . 0.0 107.384 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.93 108.12 20.16 Favored 'General case' 0 C--N 1.365 1.269 0 C-N-CA 127.179 2.192 . . . . 0.0 105.981 -176.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.72 109.99 0.23 Allowed Glycine 0 CA--C 1.488 -1.619 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 -165.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -114.13 -140.92 0.38 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 127.213 2.205 . . . . 0.0 106.597 -165.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 p -155.1 174.22 15.5 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 121.515 0.674 . . . . 0.0 110.441 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.3 ttm -94.97 -121.47 0.1 Allowed 'General case' 0 C--N 1.366 1.313 0 C-N-CA 127.432 2.293 . . . . 0.0 108.263 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.02 -41.06 16.15 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.741 1.617 . . . . 0.0 113.502 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -139.76 -12.3 1.14 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -166.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -137.63 151.37 48.23 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 121.485 1.948 . . . . 0.0 108.967 -166.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -134.19 -175.25 3.8 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.65 149.03 35.01 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 104.652 -2.351 . . . . 0.0 104.652 -173.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -145.05 65.41 1.26 Allowed 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -163.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.257 1.478 0 C-N-CA 125.073 1.349 . . . . 0.0 112.468 -175.382 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -134.73 155.18 51.01 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 125.449 1.499 . . . . 0.0 107.414 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.03 153.69 46.89 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -141.09 57.88 1.54 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 6' ' ' SER . 2.2 t -104.28 -167.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 127.391 2.276 . . . . 0.0 105.655 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.615 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.2 p -120.5 128.39 53.08 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.656 1.583 . . . . 0.0 107.537 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -141.0 152.27 44.78 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -125.7 -46.4 1.73 Allowed 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.404 1.882 . . . . 0.0 109.398 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 p -112.46 131.58 55.5 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.024 1.73 . . . . 0.0 108.131 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -40.05 -54.89 2.18 Favored 'General case' 0 C--N 1.369 1.43 0 N-CA-C 118.96 2.948 . . . . 0.0 118.96 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -55.81 -33.95 64.91 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 131.386 3.875 . . . . 0.0 115.965 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -47.94 -40.7 22.88 Favored 'General case' 0 C--N 1.371 1.501 0 C-N-CA 130.344 3.458 . . . . 0.0 118.403 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -89.96 -21.97 22.16 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 126.739 2.016 . . . . 0.0 113.706 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 p -89.93 1.16 56.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.816 2.046 . . . . 0.0 111.147 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t -95.09 -33.97 5.17 Favored 'Isoleucine or valine' 0 C--N 1.363 1.168 0 C-N-CA 126.97 2.108 . . . . 0.0 109.451 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.74 -19.06 38.65 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.663 1.985 . . . . 0.0 113.527 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -89.57 -38.45 13.96 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.058 2.143 . . . . 0.0 111.185 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -89.87 -16.64 29.63 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.848 1.659 . . . . 0.0 112.928 -177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -90.2 -47.15 7.97 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 126.642 1.977 . . . . 0.0 111.253 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -118.28 -117.83 0.32 Allowed 'General case' 0 C--N 1.363 1.175 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -170.02 61.29 0.04 OUTLIER 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 -168.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -144.98 -163.92 1.81 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 103.075 -2.935 . . . . 0.0 103.075 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 p -144.93 3.67 1.08 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.262 0.937 . . . . 0.0 109.305 170.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.91 177.11 4.74 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.475 1.51 . . . . 0.0 107.21 -170.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.13 -178.45 35.28 Favored Glycine 0 CA--C 1.491 -1.445 0 N-CA-C 105.954 -2.859 . . . . 0.0 105.954 -177.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -145.01 -156.37 0.69 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 101.908 -3.368 . . . . 0.0 101.908 164.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.1 p -153.86 172.7 16.96 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 163.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.2 ttt -99.72 -121.47 0.15 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 125.552 1.541 . . . . 0.0 108.401 -172.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -84.91 -41.89 15.52 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.28 1.432 . . . . 0.0 112.403 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -144.76 -0.88 0.9 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.685 -165.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -144.94 153.77 41.88 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 122.053 2.206 . . . . 0.0 109.087 -173.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 22.0 ttt180 -131.07 178.18 6.89 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 174.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.01 142.59 29.91 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 -170.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -144.9 80.63 1.63 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.261 1.682 0 C-N-CA 126.055 1.742 . . . . 0.0 107.588 176.615 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.354 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -135.86 -11.83 2.0 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.292 1.037 . . . . 0.0 111.061 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 p -133.7 -177.96 4.79 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 169.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -151.74 49.43 0.8 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.587 HG12 ' H ' ' A' ' 6' ' ' SER . 1.6 t -97.77 -171.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 125.781 1.632 . . . . 0.0 107.007 175.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.587 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.2 p -112.12 131.35 55.5 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.573 1.549 . . . . 0.0 108.37 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.9 t -136.72 155.56 49.7 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 121.832 0.825 . . . . 0.0 109.31 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -125.48 -52.65 1.6 Allowed 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.087 2.155 . . . . 0.0 108.585 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 p -109.22 144.71 36.97 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.101 1.76 . . . . 0.0 110.595 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 p -86.14 76.77 9.71 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 126.134 1.773 . . . . 0.0 109.99 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -174.38 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.837 2.455 . . . . 0.0 105.85 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.85 -26.81 67.09 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 129.503 3.121 . . . . 0.0 117.683 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -84.78 -29.29 25.56 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 127.363 2.265 . . . . 0.0 111.377 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 p -89.95 -0.35 57.52 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.431 1.892 . . . . 0.0 111.772 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.5 t -96.74 -42.8 12.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 126.145 1.778 . . . . 0.0 108.503 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 m -75.5 -12.31 60.21 Favored 'General case' 0 C--N 1.367 1.357 0 C-N-CA 126.175 1.79 . . . . 0.0 115.78 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.13 -38.35 14.38 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.95 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -79.01 -25.48 43.29 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.092 1.357 . . . . 0.0 113.991 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.09 -73.16 0.53 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 126.678 1.991 . . . . 0.0 110.985 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -95.06 -23.53 17.3 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.687 1.595 . . . . 0.0 114.158 -165.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.485 16.0 p30 67.88 58.61 0.48 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 130.012 3.325 . . . . 0.0 114.056 -172.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 t -145.05 -177.04 5.34 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.3 p -145.03 32.2 1.12 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 111.02 15.52 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 173.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.6 132.68 1.52 Allowed Glycine 0 CA--C 1.489 -1.579 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -133.74 -178.61 5.09 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 p -127.83 172.15 11.12 Favored 'General case' 0 C--N 1.36 1.043 0 O-C-N 120.828 -1.17 . . . . 0.0 110.147 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.2 ttt -97.27 -121.96 0.13 Allowed 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 -176.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -85.04 -42.64 14.66 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 125.375 1.47 . . . . 0.0 113.049 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -142.03 -4.11 1.06 Allowed 'General case' 0 C--N 1.355 0.837 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -165.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -144.86 151.21 38.39 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-N 121.54 1.973 . . . . 0.0 108.537 -169.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -136.6 170.76 15.53 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.66 150.78 39.23 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -140.57 60.31 1.53 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 -162.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.26 1.656 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 175.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.381 0 CA-C-O 121.337 0.589 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -115.81 156.4 26.13 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 173.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -114.64 169.41 9.08 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 126.294 1.838 . . . . 0.0 106.931 -170.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -147.59 54.33 1.06 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.545 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -96.83 -170.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.318 0 C-N-CA 126.654 1.981 . . . . 0.0 107.02 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.545 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.5 p -111.09 131.79 54.79 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 125.418 1.487 . . . . 0.0 108.814 173.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 t -138.94 150.64 46.13 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 121.94 0.876 . . . . 0.0 108.685 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.69 -49.08 1.15 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 126.288 1.835 . . . . 0.0 107.315 175.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -103.18 129.04 49.97 Favored 'General case' 0 C--N 1.366 1.297 0 C-N-CA 126.817 2.047 . . . . 0.0 109.367 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 p -86.34 72.96 10.25 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 126.968 2.107 . . . . 0.0 111.348 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -175.79 -31.36 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.984 2.113 . . . . 0.0 107.351 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.15 -41.83 97.47 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 129.019 2.928 . . . . 0.0 116.422 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -89.62 -16.36 30.69 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.447 2.299 . . . . 0.0 112.582 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 p -90.05 -2.04 58.05 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 127.576 2.351 . . . . 0.0 111.542 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.18 -34.92 5.64 Favored 'Isoleucine or valine' 0 C--N 1.366 1.312 0 C-N-CA 126.9 2.08 . . . . 0.0 108.698 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 m -69.28 -22.74 63.79 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 126.981 2.112 . . . . 0.0 114.228 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -45.47 10.43 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 127.652 2.381 . . . . 0.0 112.714 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -25.42 36.56 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.665 1.986 . . . . 0.0 113.842 -176.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -84.53 -61.18 1.86 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.877 2.071 . . . . 0.0 109.541 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.405 ' CE1' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -99.97 -115.6 0.16 Allowed 'General case' 0 C--N 1.363 1.194 0 C-N-CA 124.675 1.19 . . . . 0.0 107.87 170.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -177.74 58.57 0.01 OUTLIER 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 t -145.06 -178.35 6.0 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.2 m -129.96 -15.04 3.88 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 125.223 1.409 . . . . 0.0 108.341 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.82 112.53 24.25 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 125.859 1.664 . . . . 0.0 106.812 -169.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.85 133.96 1.57 Allowed Glycine 0 CA--C 1.482 -2.005 0 N-CA-C 107.235 -2.346 . . . . 0.0 107.235 -167.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -132.41 -139.62 0.2 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 104.603 -2.369 . . . . 0.0 104.603 -166.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 p -154.74 175.47 13.66 Favored 'General case' 0 CA--C 1.499 -1.019 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.8 ttt -95.31 -123.96 0.11 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.518 2.327 . . . . 0.0 107.496 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -85.33 -43.19 13.92 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.634 1.973 . . . . 0.0 113.242 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -140.98 -3.11 1.26 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-O 117.879 -1.058 . . . . 0.0 113.617 -163.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -145.08 152.28 39.83 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 121.539 1.972 . . . . 0.0 109.436 -171.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -135.55 178.46 7.02 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 104.331 -2.47 . . . . 0.0 104.331 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.405 ' SG ' ' CE1' ' A' ' 21' ' ' HIS . 1.8 t -145.13 151.23 38.15 Favored 'General case' 0 N--CA 1.431 -1.382 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.56 61.65 1.47 Allowed 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 -161.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.257 1.498 0 C-N-CA 125.728 1.611 . . . . 0.0 106.996 176.206 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.266 0 CA-C-O 120.726 0.298 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -110.04 148.82 30.98 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.352 1.861 . . . . 0.0 106.17 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.83 176.89 5.06 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 125.356 1.462 . . . . 0.0 107.996 -174.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.02 48.2 0.99 Allowed 'General case' 0 C--N 1.357 0.93 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.583 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.84 -171.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.42 0 C-N-CA 125.853 1.661 . . . . 0.0 107.543 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.583 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.8 p -108.5 134.83 50.73 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.367 1.467 . . . . 0.0 108.375 175.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -137.4 152.22 49.4 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.028 0.918 . . . . 0.0 109.066 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 p -130.19 -49.06 1.1 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 127.042 2.137 . . . . 0.0 107.471 172.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.1 p -106.35 138.92 41.66 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 126.46 1.904 . . . . 0.0 110.379 -172.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 p -88.75 83.69 6.7 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 125.482 1.513 . . . . 0.0 109.73 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -175.02 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.276 2.63 . . . . 0.0 105.183 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -60.08 -28.67 68.0 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 130.335 3.454 . . . . 0.0 116.674 174.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . 0.457 ' HG2' ' HG3' ' A' ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -81.31 -28.98 34.38 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 128.29 2.636 . . . . 0.0 111.974 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -89.93 4.81 48.89 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.37 1.868 . . . . 0.0 112.023 172.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.72 -28.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.364 1.22 0 C-N-CA 124.949 1.3 . . . . 0.0 109.999 173.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.2 m -84.47 -17.57 38.66 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.171 1.388 . . . . 0.0 112.275 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -90.08 -28.5 18.97 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.306 1.842 . . . . 0.0 111.899 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -89.56 -21.73 22.73 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.23 1.412 . . . . 0.0 113.542 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -89.89 -50.94 5.74 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 125.394 1.477 . . . . 0.0 109.729 171.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 -114.51 0.31 Allowed 'General case' 0 C--N 1.365 1.277 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -173.32 58.02 0.02 OUTLIER 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 -173.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -145.02 171.61 14.22 Favored 'General case' 0 C--N 1.361 1.074 0 O-C-N 121.268 -0.895 . . . . 0.0 108.999 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.0 p -145.09 37.97 1.16 Allowed 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -167.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.2 116.48 12.64 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 102.911 -2.996 . . . . 0.0 102.911 165.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.51 132.27 1.46 Allowed Glycine 0 C--N 1.35 1.322 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -172.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 159.24 43.25 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 102.768 -3.049 . . . . 0.0 102.768 -171.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.9 p -108.47 172.77 6.65 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.643 1.177 . . . . 0.0 110.477 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ttt -97.1 -121.88 0.12 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.195 1.798 . . . . 0.0 108.274 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -85.28 -39.19 18.0 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.652 1.581 . . . . 0.0 114.208 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -136.51 -20.73 1.36 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -160.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 151.35 38.96 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 121.26 1.846 . . . . 0.0 107.36 -167.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . 0.457 ' HG3' ' HG2' ' A' ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -136.67 177.87 7.52 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 t -145.09 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -178.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -145.12 61.87 1.3 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 -165.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.258 1.528 0 C-N-CA 125.665 1.586 . . . . 0.0 109.38 -176.288 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.22 0 CA-C-O 120.871 0.367 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -111.53 166.15 11.39 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.476 1.91 . . . . 0.0 106.918 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.06 158.95 15.24 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.734 2.414 . . . . 0.0 108.77 176.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -137.87 54.5 1.8 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 124.882 1.273 . . . . 0.0 108.28 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.608 HG12 ' H ' ' A' ' 6' ' ' SER . 2.0 t -102.29 -167.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.247 0 C-N-CA 126.864 2.066 . . . . 0.0 106.158 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.608 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.9 p -116.56 132.17 56.75 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.476 1.51 . . . . 0.0 108.31 173.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -145.82 148.65 33.13 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.86 0.838 . . . . 0.0 109.175 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -129.01 -44.61 1.29 Allowed 'General case' 0 C--N 1.359 0.994 0 C-N-CA 126.743 2.017 . . . . 0.0 108.362 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -109.73 140.02 44.11 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.004 1.722 . . . . 0.0 109.808 -175.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.9 t -86.84 77.92 9.16 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.798 2.039 . . . . 0.0 109.598 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -174.64 -43.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.109 2.164 . . . . 0.0 105.221 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.8 -45.09 49.5 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 131.012 3.725 . . . . 0.0 118.832 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -90.1 -19.07 24.76 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 127.135 2.174 . . . . 0.0 113.371 -174.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 p -89.88 -0.49 57.59 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.927 2.091 . . . . 0.0 111.142 172.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.2 t -95.34 -41.68 12.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 125.997 1.719 . . . . 0.0 109.243 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -82.76 -4.83 58.47 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 126.055 1.742 . . . . 0.0 113.946 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.147 2.179 . . . . 0.0 111.326 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -89.33 -12.08 41.54 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.192 1.797 . . . . 0.0 113.585 -173.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -90.07 -48.35 7.25 Favored 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.336 1.854 . . . . 0.0 110.191 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -109.83 -116.05 0.3 Allowed 'General case' 0 C--N 1.365 1.28 0 C-N-CA 125.4 1.48 . . . . 0.0 107.269 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -173.0 57.42 0.02 OUTLIER 'General case' 0 C--N 1.353 0.73 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -170.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -144.71 -156.95 0.74 Allowed 'General case' 0 C--N 1.359 0.995 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 175.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -145.1 -2.42 0.8 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-N 120.092 1.314 . . . . 0.0 110.751 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' H ' ' HD3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -117.77 -170.52 1.88 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.946 1.298 . . . . 0.0 108.621 -175.688 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.2 168.04 16.52 Favored Glycine 0 N--CA 1.433 -1.566 0 N-CA-C 103.475 -3.85 . . . . 0.0 103.475 -166.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -144.9 170.66 15.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 101.565 -3.494 . . . . 0.0 101.565 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.0 p -133.88 173.43 11.56 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -121.81 0.15 Allowed 'General case' 0 C--N 1.363 1.178 0 C-N-CA 126.184 1.794 . . . . 0.0 107.096 -171.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -85.46 -43.66 13.4 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 124.421 1.088 . . . . 0.0 112.747 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -144.95 3.99 1.09 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.76 -1.114 . . . . 0.0 113.931 -165.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -145.14 152.62 40.32 Favored 'General case' 0 CA--C 1.487 -1.456 0 CA-C-N 121.556 1.98 . . . . 0.0 110.122 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -128.53 173.74 9.99 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.55 135.21 24.73 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -166.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -144.86 92.68 2.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 -168.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.26 1.645 0 N-CA-C 106.387 -1.708 . . . . 0.0 106.387 -178.77 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.224 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -125.06 162.01 25.5 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.055 1.742 . . . . 0.0 107.363 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.444 HG21 HG12 ' A' ' 16' ' ' VAL . 7.2 p -123.86 156.82 35.51 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 174.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -142.22 52.27 1.47 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.542 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.41 -172.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.725 2.01 . . . . 0.0 107.001 172.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.542 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.0 p -113.25 132.12 55.65 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.126 1.37 . . . . 0.0 107.537 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.0 p -105.35 170.52 7.83 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.752 0.821 . . . . 0.0 110.8 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 p -132.85 -52.75 0.92 Allowed 'General case' 0 C--N 1.357 0.91 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 168.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -121.18 157.15 30.83 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.252 1.821 . . . . 0.0 108.015 -176.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.3 m -90.08 72.76 7.32 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.107 2.163 . . . . 0.0 109.784 165.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -163.29 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.358 0.975 0 C-N-CA 128.15 2.58 . . . . 0.0 106.201 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.27 -22.97 67.14 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 130.318 3.447 . . . . 0.0 115.626 177.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . 0.433 ' HG1' ' HB3' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -82.2 -30.43 30.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 128.374 2.67 . . . . 0.0 112.213 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.7 p -89.95 -3.3 58.1 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 126.32 1.848 . . . . 0.0 111.335 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.444 HG12 HG21 ' A' ' 3' ' ' THR . 5.0 t -96.89 -29.52 3.78 Favored 'Isoleucine or valine' 0 C--N 1.369 1.423 0 C-N-CA 125.755 1.622 . . . . 0.0 109.726 176.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.2 m -80.81 -17.77 49.7 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -89.76 -35.45 15.72 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.733 1.613 . . . . 0.0 111.45 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -19.93 46.3 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.245 1.818 . . . . 0.0 113.786 -176.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.06 -67.97 0.81 Allowed 'General case' 0 C--N 1.362 1.123 0 C-N-CA 127.6 2.36 . . . . 0.0 109.903 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -102.73 -114.83 0.21 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.401 1.88 . . . . 0.0 108.255 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -175.55 58.18 0.02 OUTLIER 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.99 176.93 9.13 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 104.999 -2.223 . . . . 0.0 104.999 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.3 m -127.85 -16.79 4.59 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 124.015 0.926 . . . . 0.0 108.851 -175.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 118.21 31.44 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 -172.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.36 131.61 1.27 Allowed Glycine 0 CA--C 1.487 -1.714 0 N-CA-C 104.944 -3.262 . . . . 0.0 104.944 -166.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -129.09 -146.0 0.31 Allowed 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HB3' ' HG1' ' A' ' 13' ' ' ABA . 0.2 OUTLIER -152.94 174.88 13.57 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 -175.432 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -107.12 -128.82 0.27 Allowed 'General case' 0 C--N 1.36 1.063 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -84.92 -42.59 14.85 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.968 1.707 . . . . 0.0 113.058 173.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -142.32 4.45 1.59 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 124.62 1.168 . . . . 0.0 112.049 -166.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -144.87 156.89 44.25 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 121.034 1.743 . . . . 0.0 109.037 -173.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . 0.405 ' HG3' ' HG2' ' A' ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -136.45 169.84 17.02 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -174.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -145.06 137.88 26.3 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -135.97 73.06 1.45 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 -164.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.261 1.669 0 C-N-CA 125.27 1.428 . . . . 0.0 110.185 -177.874 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.34 0 CA-C-O 120.723 0.297 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -100.46 151.75 21.19 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.411 1.885 . . . . 0.0 108.835 -174.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -103.41 -173.54 2.34 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.502 1.521 . . . . 0.0 108.678 -176.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.89 53.3 0.92 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -99.57 -169.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.117 1.767 . . . . 0.0 106.836 173.089 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.589 ' H ' HG12 ' A' ' 5' ' ' VAL . 9.7 p -114.83 135.66 53.94 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.618 1.567 . . . . 0.0 108.45 174.07 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 t -144.66 148.54 34.39 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -130.41 -47.21 1.08 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 126.562 1.945 . . . . 0.0 107.3 175.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -104.59 129.37 52.7 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.49 1.916 . . . . 0.0 108.698 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -87.53 72.18 9.67 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.68 1.992 . . . . 0.0 111.116 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -172.74 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 C-N-CA 126.48 1.912 . . . . 0.0 107.131 -178.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -56.3 -44.94 80.38 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 130.384 3.474 . . . . 0.0 116.791 172.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -90.08 -18.42 25.92 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 127.263 2.225 . . . . 0.0 113.18 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 p -90.03 0.5 57.08 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 126.792 2.037 . . . . 0.0 111.389 171.45 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.07 -38.18 8.58 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 C-N-CA 126.921 2.089 . . . . 0.0 108.917 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.3 m -79.61 -11.13 59.88 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 126.005 1.722 . . . . 0.0 114.305 171.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -89.55 -50.16 6.25 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.864 2.065 . . . . 0.0 112.161 -176.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -80.89 -18.74 46.23 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.61 1.964 . . . . 0.0 114.006 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -90.0 -43.14 10.73 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.23 1.812 . . . . 0.0 110.778 178.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -119.36 -115.38 0.32 Allowed 'General case' 0 C--N 1.363 1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -177.06 58.8 0.01 OUTLIER 'General case' 0 C--N 1.353 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 107.617 -175.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 t -145.03 178.68 7.87 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 178.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.1 m -122.16 -15.1 7.81 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 107.997 175.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.97 109.36 21.39 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 126.549 1.939 . . . . 0.0 106.881 -169.117 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.83 112.56 0.33 Allowed Glycine 0 CA--C 1.486 -1.767 0 N-CA-C 106.922 -2.471 . . . . 0.0 106.922 -172.085 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -114.03 -146.78 0.41 Allowed 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.034 2.134 . . . . 0.0 105.563 -170.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 p -155.01 176.39 12.6 Favored 'General case' 0 CA--C 1.495 -1.171 0 CA-C-O 121.428 0.632 . . . . 0.0 109.608 175.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 ttm -97.1 -124.06 0.13 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.697 1.999 . . . . 0.0 107.778 174.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.24 -41.13 15.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.204 1.401 . . . . 0.0 113.516 176.35 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -145.07 4.16 1.07 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -164.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -144.96 150.5 37.06 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-N 121.546 1.975 . . . . 0.0 109.282 179.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -126.62 -171.3 2.37 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 140.8 28.48 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 175.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -124.21 -14.27 7.04 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 125.714 1.606 . . . . 0.0 108.77 -162.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . 0.287 60.5 p . . . . . 0 C--O 1.26 1.657 0 C-N-CA 129.86 3.264 . . . . 0.0 116.96 174.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -124.21 160.13 28.6 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.104 1.762 . . . . 0.0 106.603 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 p -105.21 154.81 19.71 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.543 1.937 . . . . 0.0 108.015 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -138.56 52.27 1.81 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 6' ' ' SER . 1.7 t -97.22 -169.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.304 0 C-N-CA 127.009 2.124 . . . . 0.0 106.733 174.466 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.584 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.6 p -118.61 130.7 56.02 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 172.324 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 p -101.89 173.09 6.55 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.738 0.815 . . . . 0.0 111.103 -178.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 p -124.77 -56.77 1.57 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 171.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -131.07 159.62 37.06 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 125.767 1.627 . . . . 0.0 106.99 -178.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -90.04 57.8 3.92 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.907 2.483 . . . . 0.0 111.749 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -168.33 -33.33 0.02 OUTLIER 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.844 1.658 . . . . 0.0 109.248 -173.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.73 -32.26 65.57 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 128.103 2.561 . . . . 0.0 114.784 -179.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -89.99 -18.65 25.61 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.18 2.592 . . . . 0.0 113.193 177.01 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 p -89.99 -2.62 58.18 Favored 'General case' 0 C--N 1.37 1.488 0 C-N-CA 126.978 2.111 . . . . 0.0 111.141 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.93 -24.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.407 2.283 . . . . 0.0 109.082 177.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -72.37 -29.57 63.9 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 125.673 1.589 . . . . 0.0 113.174 165.136 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -89.06 -36.36 15.81 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 127.303 2.241 . . . . 0.0 113.161 -169.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -83.86 -19.17 35.33 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.857 2.063 . . . . 0.0 113.327 -177.159 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -90.13 -61.91 1.58 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.901 2.481 . . . . 0.0 108.889 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -106.21 -112.74 0.27 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.903 1.681 . . . . 0.0 108.671 -177.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -175.72 57.8 0.01 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.298 1.439 . . . . 0.0 107.217 -173.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.76 44.02 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -172.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.6 m -126.21 -6.73 6.53 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 126.534 1.933 . . . . 0.0 107.814 178.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.05 112.87 24.53 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 126.614 1.965 . . . . 0.0 107.265 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.77 163.36 36.84 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 106.171 -2.771 . . . . 0.0 106.171 -169.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -144.98 -150.36 0.32 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 172.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.09 175.25 14.08 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 172.714 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.9 ttt -105.72 -130.2 0.28 Allowed 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -175.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -84.99 -37.91 19.88 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.572 1.549 . . . . 0.0 112.934 176.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -140.91 -3.05 1.27 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.101 -1.428 . . . . 0.0 113.084 -170.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -141.11 159.85 41.33 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 122.379 2.354 . . . . 0.0 108.353 -171.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -139.57 173.16 11.83 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 t -145.11 140.17 27.84 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 -175.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -130.27 40.9 3.47 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 126.247 1.819 . . . . 0.0 106.167 -160.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.26 1.613 0 C-N-CA 126.138 1.775 . . . . 0.0 109.642 177.931 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.93 0 CA-C-O 121.611 0.72 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -117.91 162.83 17.49 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 126.42 1.888 . . . . 0.0 107.147 -174.186 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.2 p -113.36 151.69 30.93 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 125.887 1.675 . . . . 0.0 107.402 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -141.91 56.16 1.48 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 -178.3 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.621 HG12 ' H ' ' A' ' 6' ' ' SER . 2.4 t -97.74 -168.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 127.348 2.259 . . . . 0.0 106.295 176.415 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.621 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.3 p -122.39 130.01 52.67 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 172.023 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 p -108.36 175.45 5.47 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 123.658 0.783 . . . . 0.0 110.594 -177.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -130.11 -55.36 1.11 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 164.048 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 p -122.9 151.95 41.26 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 125.465 1.506 . . . . 0.0 107.943 -177.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.8 p -89.9 71.68 7.54 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 127.739 2.416 . . . . 0.0 110.596 173.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -170.09 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 -176.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -60.46 -40.62 91.87 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 130.891 3.676 . . . . 0.0 115.927 177.14 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -90.01 -21.76 22.22 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 127.491 2.316 . . . . 0.0 112.227 174.274 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 p -90.04 8.3 33.26 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 127.383 2.273 . . . . 0.0 111.044 173.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.08 -43.04 12.86 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 126.725 2.01 . . . . 0.0 108.187 171.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.4 m -85.19 -5.68 59.32 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 124.602 1.161 . . . . 0.0 114.088 179.056 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -89.96 -37.5 14.31 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.743 2.017 . . . . 0.0 111.793 177.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -88.43 -12.48 43.03 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 126.897 2.079 . . . . 0.0 112.608 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.95 -65.66 1.0 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 128.301 2.641 . . . . 0.0 110.549 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -101.62 -112.57 0.2 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.801 2.04 . . . . 0.0 107.444 -174.181 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.98 57.98 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -144.98 173.22 12.06 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -179.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 p -144.98 23.61 1.52 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 178.386 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -116.39 123.72 48.26 Favored 'General case' 0 C--N 1.366 1.303 0 N-CA-C 103.386 -2.82 . . . . 0.0 103.386 170.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.12 160.76 34.43 Favored Glycine 0 CA--C 1.482 -1.996 0 N-CA-C 104.14 -3.584 . . . . 0.0 104.14 -173.193 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 -170.2 3.36 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 176.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.1 155.64 34.39 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 101.848 -3.39 . . . . 0.0 101.848 174.357 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.2 ttp -99.45 -122.61 0.15 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 124.472 1.109 . . . . 0.0 108.618 -173.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -85.09 -37.21 20.56 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.235 1.014 . . . . 0.0 113.537 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -136.81 -20.7 1.29 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.829 -166.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -133.22 168.2 18.98 Favored 'General case' 0 C--N 1.365 1.274 0 CA-C-N 121.139 1.79 . . . . 0.0 109.141 -168.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 35' ' ' CYS . 15.6 ttm105 -133.49 179.32 6.29 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 172.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.564 ' H ' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -144.76 143.81 30.86 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 102.985 -2.968 . . . . 0.0 102.985 -169.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -145.07 64.75 1.27 Allowed 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -169.108 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.259 1.588 0 C-N-CA 125.505 1.522 . . . . 0.0 110.86 -180.0 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.089 0 CA-C-O 121.03 0.443 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.0 153.38 41.43 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 -178.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p -122.29 178.31 5.0 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 172.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.32 49.05 1.84 Allowed 'General case' 0 C--N 1.359 1.009 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 175.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.1 t -102.93 159.92 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.136 0 C-N-CA 128.849 2.859 . . . . 0.0 104.318 173.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 p -95.18 139.96 30.77 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 124.994 1.317 . . . . 0.0 110.821 -179.387 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -144.65 151.15 38.54 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -176.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -131.39 -47.76 0.99 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.342 1.857 . . . . 0.0 107.099 174.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 p -104.45 131.08 52.21 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.426 1.891 . . . . 0.0 109.267 -177.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -88.66 74.21 8.44 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 127.258 2.223 . . . . 0.0 110.3 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -173.44 -43.29 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -169.189 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.55 -42.71 98.37 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 129.323 3.049 . . . . 0.0 116.016 -178.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -89.02 -25.87 21.76 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.38 2.272 . . . . 0.0 112.235 176.75 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 p -90.03 13.8 13.91 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 127.378 2.271 . . . . 0.0 111.623 170.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.55 -33.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 126.332 1.853 . . . . 0.0 109.176 172.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.82 -16.08 58.59 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 120.051 1.296 . . . . 0.0 114.3 172.087 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -90.04 -34.99 15.74 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.855 2.062 . . . . 0.0 112.572 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -89.81 -16.39 30.28 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 126.229 1.812 . . . . 0.0 113.344 -176.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -89.93 -61.97 1.57 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 127.07 2.148 . . . . 0.0 109.049 176.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -100.68 -114.54 0.18 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 125.838 1.655 . . . . 0.0 108.076 -178.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -177.73 61.27 0.01 OUTLIER 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -175.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -145.0 -167.21 2.61 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.2 p -135.42 -13.92 2.0 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 123.818 0.847 . . . . 0.0 109.779 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.01 115.52 27.53 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 124.859 1.264 . . . . 0.0 107.669 -172.223 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.44 107.17 0.24 Allowed Glycine 0 CA--C 1.483 -1.91 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -171.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -107.97 -149.47 0.43 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.328 1.851 . . . . 0.0 106.546 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -155.02 174.75 14.73 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.063 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -119.32 0.1 Allowed 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.753 1.621 . . . . 0.0 108.726 176.061 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -85.01 -41.24 16.0 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.934 1.294 . . . . 0.0 113.529 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -140.12 -11.58 1.1 Allowed 'General case' 0 C--N 1.356 0.887 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -163.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -145.03 149.07 34.46 Favored 'General case' 0 C--N 1.366 1.283 0 CA-C-N 121.765 2.075 . . . . 0.0 109.838 -174.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -129.46 -178.09 4.53 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 104.938 -2.245 . . . . 0.0 104.938 -173.299 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.99 140.68 28.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 -177.704 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -131.11 34.22 4.06 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 126.914 2.086 . . . . 0.0 106.291 -162.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.26 1.622 0 C-N-CA 127.233 2.213 . . . . 0.0 111.643 -178.324 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.367 0 CA-C-O 121.314 0.578 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -105.76 164.68 11.74 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 126.895 2.078 . . . . 0.0 106.992 178.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -102.04 168.75 9.19 Favored 'General case' 0 C--N 1.365 1.266 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 175.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -135.83 49.97 2.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.7 t -103.93 155.42 5.73 Favored 'Isoleucine or valine' 0 C--N 1.363 1.156 0 C-N-CA 128.413 2.685 . . . . 0.0 104.289 171.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -95.11 137.9 33.54 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.179 1.392 . . . . 0.0 110.163 -179.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -141.49 147.79 38.4 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 122.374 1.083 . . . . 0.0 108.776 -176.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 p -132.33 -45.91 0.91 Allowed 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.091 2.156 . . . . 0.0 107.348 175.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 p -105.22 132.72 51.07 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 126.526 1.93 . . . . 0.0 108.708 -177.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 p -89.85 72.98 7.53 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 126.499 1.92 . . . . 0.0 111.203 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -173.51 -35.61 0.01 OUTLIER 'General case' 0 C--N 1.355 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 105.994 -178.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.0 -47.04 44.76 Favored 'General case' 0 C--N 1.371 1.508 1 C-N-CA 131.709 4.004 . . . . 0.0 117.963 172.29 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -89.21 -20.67 23.89 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.419 2.287 . . . . 0.0 111.943 179.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 p -90.0 6.92 40.14 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 127.663 2.385 . . . . 0.0 111.731 169.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -97.4 -36.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.074 1.749 . . . . 0.0 109.132 173.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.3 m -81.57 -7.67 59.62 Favored 'General case' 0 C--N 1.372 1.56 0 C-N-CA 125.949 1.699 . . . . 0.0 113.501 173.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -89.87 -35.53 15.58 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 127.149 2.18 . . . . 0.0 111.303 174.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -89.61 -24.46 21.67 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.565 1.946 . . . . 0.0 113.505 -177.07 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -90.14 -43.69 10.28 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 125.963 1.705 . . . . 0.0 110.406 178.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -115.09 -119.04 0.31 Allowed 'General case' 0 C--N 1.362 1.132 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -175.21 62.42 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -177.013 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -144.7 -170.58 3.43 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.135 -2.172 . . . . 0.0 105.135 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 p -128.64 -35.97 1.88 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 128.02 41.33 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 125.996 1.718 . . . . 0.0 108.038 -172.326 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.53 100.71 0.14 Allowed Glycine 0 CA--C 1.492 -1.397 0 N-CA-C 105.88 -2.888 . . . . 0.0 105.88 -168.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -106.95 -143.35 0.38 Allowed 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.762 2.425 . . . . 0.0 107.996 -167.072 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 p -155.16 175.14 14.23 Favored 'General case' 0 CA--C 1.495 -1.155 0 C-N-CA 123.696 0.798 . . . . 0.0 108.93 176.074 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -98.42 -118.75 0.14 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 126.4 1.88 . . . . 0.0 107.661 171.054 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.1 p30 -88.34 -33.64 17.9 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 125.057 1.343 . . . . 0.0 114.429 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -131.56 -35.11 1.32 Allowed 'General case' 0 C--N 1.36 1.026 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -164.144 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -137.39 152.67 49.9 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 120.548 1.522 . . . . 0.0 109.034 -166.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -120.48 -172.58 2.4 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.107 2.163 . . . . 0.0 105.302 178.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.96 142.08 29.53 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 -178.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -144.79 61.69 1.32 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 -163.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 p . . . . . 0 C--O 1.259 1.596 0 C-N-CA 125.265 1.426 . . . . 0.0 110.949 -178.328 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.209 0 CA-C-O 121.673 0.749 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -105.44 165.0 11.44 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 127.565 2.346 . . . . 0.0 106.728 177.783 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -95.95 177.53 5.72 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 124.908 1.283 . . . . 0.0 108.249 174.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -145.36 52.95 1.19 Allowed 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 176.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 6' ' ' SER . 1.5 t -94.16 -172.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.406 0 C-N-CA 125.776 1.631 . . . . 0.0 107.129 170.199 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.582 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.4 p -111.91 132.51 54.69 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.582 1.553 . . . . 0.0 108.062 174.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -137.97 153.47 49.44 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 121.933 0.873 . . . . 0.0 109.815 -177.272 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.1 p -125.81 -47.42 1.67 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 127.253 2.221 . . . . 0.0 108.752 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 p -112.22 141.23 46.17 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 125.759 1.624 . . . . 0.0 110.765 -170.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 p -86.93 74.34 9.76 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.639 1.976 . . . . 0.0 110.907 177.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -173.94 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.355 0.848 0 C-N-CA 127.423 2.289 . . . . 0.0 105.445 -173.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.56 -29.67 68.09 Favored 'General case' 0 C--N 1.369 1.431 0 C-N-CA 130.154 3.382 . . . . 0.0 117.567 177.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -90.02 -16.28 30.12 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.03 1.732 . . . . 0.0 111.975 -168.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -90.03 -7.09 54.75 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.095 2.158 . . . . 0.0 111.692 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.99 -35.37 6.02 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 C-N-CA 125.469 1.508 . . . . 0.0 109.536 -176.366 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -82.4 -11.48 58.52 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.03 1.332 . . . . 0.0 113.815 175.36 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -87.95 -40.57 13.81 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 125.351 1.46 . . . . 0.0 110.947 173.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -32.59 58.99 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 126.349 1.86 . . . . 0.0 113.82 -176.276 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.02 -42.09 11.34 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.965 2.106 . . . . 0.0 111.416 -178.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -118.88 -119.08 0.31 Allowed 'General case' 0 C--N 1.363 1.18 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -178.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -174.92 56.35 0.02 OUTLIER 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.715 1.606 . . . . 0.0 106.706 -177.388 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 t -145.05 -179.99 6.98 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.8 p -128.75 -11.47 4.9 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.897 0.879 . . . . 0.0 108.69 -178.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.88 117.46 30.17 Favored 'General case' 0 C--N 1.367 1.352 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -173.054 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.11 124.87 0.76 Allowed Glycine 0 CA--C 1.486 -1.763 0 N-CA-C 106.339 -2.704 . . . . 0.0 106.339 -170.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -127.86 -149.5 0.41 Allowed 'General case' 0 C--N 1.358 0.968 0 N-CA-C 104.399 -2.445 . . . . 0.0 104.399 -170.249 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 p -155.09 175.81 13.35 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ttp -98.61 -128.26 0.18 Allowed 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.91 2.084 . . . . 0.0 107.213 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 -36.55 20.13 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.68 1.192 . . . . 0.0 114.008 175.186 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -140.46 -3.74 1.31 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-O 117.384 -1.293 . . . . 0.0 113.989 -166.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -145.07 148.22 33.44 Favored 'General case' 0 CA--C 1.492 -1.279 0 CA-C-N 122.02 2.191 . . . . 0.0 110.045 -174.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -126.48 176.73 6.95 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 -175.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.2 t -145.03 141.59 29.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -140.67 69.59 1.35 Allowed 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -165.097 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.258 1.547 0 C-N-CA 125.254 1.422 . . . . 0.0 111.06 -175.612 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.254 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -118.37 161.85 19.28 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.444 1.897 . . . . 0.0 107.542 -176.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 p -106.61 170.81 7.71 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.953 2.101 . . . . 0.0 107.268 174.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -146.69 52.56 1.1 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 6' ' ' SER . 1.2 t -93.33 -173.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.313 1.845 . . . . 0.0 107.461 170.707 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.528 ' H ' HG12 ' A' ' 5' ' ' VAL . 6.8 p -114.96 130.48 56.93 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.07 1.348 . . . . 0.0 107.658 173.246 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.59 173.17 6.46 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 123.637 0.775 . . . . 0.0 111.768 -176.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 p -123.25 -57.79 1.66 Allowed 'General case' 0 C--N 1.361 1.092 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 169.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 p -132.85 159.01 41.06 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 126.009 1.724 . . . . 0.0 107.251 -176.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 m -90.04 62.39 5.55 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 127.847 2.459 . . . . 0.0 111.181 175.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -165.45 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.267 1.827 . . . . 0.0 107.58 -178.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -38.69 86.17 Favored 'General case' 0 C--N 1.37 1.498 0 C-N-CA 129.629 3.172 . . . . 0.0 115.493 177.316 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -89.78 -20.6 23.33 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 127.582 2.353 . . . . 0.0 112.734 175.536 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.0 p -89.87 4.56 49.52 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.016 2.126 . . . . 0.0 111.863 171.126 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -94.9 -26.62 4.35 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 126.788 2.035 . . . . 0.0 108.696 173.029 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.2 m -69.3 -24.52 63.96 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.277 1.831 . . . . 0.0 114.833 165.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -89.96 -37.53 14.29 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.199 1.8 . . . . 0.0 112.306 -178.219 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -82.01 -23.16 36.13 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 126.641 1.976 . . . . 0.0 113.376 -174.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.98 -63.69 1.24 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 127.11 2.164 . . . . 0.0 109.714 175.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -101.84 -115.1 0.19 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.687 1.595 . . . . 0.0 108.192 -178.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 p30 179.86 60.95 0.01 OUTLIER 'General case' 0 C--N 1.353 0.753 0 C-N-CA 125.571 1.548 . . . . 0.0 107.297 -177.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -145.02 -179.06 6.37 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 179.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 p -138.96 -13.63 1.21 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.433 0.693 . . . . 0.0 110.393 -172.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.03 123.79 38.71 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 176.437 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.78 158.66 22.29 Favored Glycine 0 CA--C 1.489 -1.57 0 N-CA-C 103.957 -3.657 . . . . 0.0 103.957 -166.396 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -144.96 -154.42 0.54 Allowed 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.08 177.7 11.03 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 174.253 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.0 ttm -107.63 -132.02 0.31 Allowed 'General case' 0 C--N 1.361 1.082 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -35.68 21.69 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 125.337 1.455 . . . . 0.0 113.2 176.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.62 1.15 1.7 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.548 -1.215 . . . . 0.0 112.838 -170.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -145.02 154.12 42.2 Favored 'General case' 0 C--N 1.368 1.374 0 CA-C-N 121.897 2.135 . . . . 0.0 109.444 -173.09 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -138.77 175.64 9.38 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 172.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.5 t -145.03 143.72 30.63 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 103.929 -2.619 . . . . 0.0 103.929 -176.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -135.86 83.55 2.02 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -161.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.261 1.685 0 C-N-CA 125.744 1.618 . . . . 0.0 107.856 165.344 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.013 0 CA-C-O 121.485 0.659 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -125.4 163.81 21.81 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.359 1.864 . . . . 0.0 106.02 -176.646 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.38 172.02 7.24 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.318 1.447 . . . . 0.0 107.57 179.725 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -148.29 49.99 1.03 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 178.145 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -94.35 -176.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 125.582 1.553 . . . . 0.0 107.149 170.633 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.464 ' H ' HG12 ' A' ' 5' ' ' VAL . 7.9 p -108.08 134.68 50.61 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.894 1.278 . . . . 0.0 107.86 172.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -104.15 170.84 7.67 Favored 'General case' 0 C--N 1.363 1.185 0 CA-C-O 121.421 0.629 . . . . 0.0 110.695 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.6 p -128.66 -51.38 1.25 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 167.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.7 p -126.05 156.86 39.28 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.932 1.693 . . . . 0.0 107.666 -176.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.2 m -90.0 79.88 6.48 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.108 2.163 . . . . 0.0 108.123 165.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -173.93 -42.49 0.01 OUTLIER 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.726 -2.324 . . . . 0.0 104.726 -167.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -65.95 -24.47 66.82 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 131.037 3.735 . . . . 0.0 116.135 177.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . 0.493 ' HG1' ' HB3' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -84.59 -28.64 26.41 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 128.045 2.538 . . . . 0.0 112.6 176.535 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 p -90.02 -4.22 57.53 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.929 1.691 . . . . 0.0 111.339 175.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 t -96.64 -28.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 0 C-N-CA 125.701 1.6 . . . . 0.0 109.913 178.715 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 m -85.91 -16.25 39.1 Favored 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.208 1.003 . . . . 0.0 112.938 176.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -90.05 -32.98 16.5 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 125.67 1.588 . . . . 0.0 111.66 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.23 42.73 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.856 1.662 . . . . 0.0 113.276 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -90.14 -50.33 6.06 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 126.535 1.934 . . . . 0.0 110.588 178.451 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -118.97 -116.31 0.32 Allowed 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 -177.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -175.84 59.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -176.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -145.07 175.32 10.33 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 p -144.89 32.62 1.13 Allowed 'General case' 0 C--N 1.352 0.676 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 -174.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.27 112.42 18.6 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 101.78 -3.415 . . . . 0.0 101.78 175.022 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.15 134.76 2.38 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 106.838 -2.505 . . . . 0.0 106.838 -170.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -145.09 161.57 39.12 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 102.745 -3.057 . . . . 0.0 102.745 -175.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.493 ' HB3' ' HG1' ' A' ' 13' ' ' ABA . 0.2 OUTLIER -118.78 173.14 7.05 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -174.641 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.3 ttt -106.73 -131.62 0.3 Allowed 'General case' 0 C--N 1.359 0.982 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -177.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -85.06 -36.52 21.15 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.002 1.721 . . . . 0.0 113.486 175.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -135.43 -12.81 2.07 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.396 -1.288 . . . . 0.0 113.416 -168.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -137.61 156.94 47.5 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-N 121.489 1.95 . . . . 0.0 108.943 -168.185 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . 0.446 ' HG3' ' HG2' ' A' ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -140.78 -177.14 4.93 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -178.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.85 155.84 43.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 -178.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -145.08 65.55 1.26 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -166.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.261 1.705 0 C-N-CA 124.978 1.311 . . . . 0.0 110.699 178.05 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.241 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -124.01 164.69 18.85 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.455 1.902 . . . . 0.0 106.238 -178.486 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p -106.81 -172.41 2.08 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.888 1.675 . . . . 0.0 108.285 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -155.51 52.3 0.59 Allowed 'General case' 0 C--N 1.361 1.081 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.068 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 6' ' ' SER . 1.4 t -99.75 -168.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.312 1.845 . . . . 0.0 107.243 176.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.551 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.1 p -113.49 133.65 55.11 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.54 1.536 . . . . 0.0 108.761 173.679 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -141.67 150.52 42.01 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -129.61 -48.44 1.16 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.765 2.026 . . . . 0.0 107.421 173.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -107.31 136.71 46.66 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.276 1.83 . . . . 0.0 109.709 -175.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 p -89.9 72.38 7.51 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.893 2.077 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -173.79 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.046 2.138 . . . . 0.0 106.899 -173.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.27 -44.17 97.14 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 129.865 3.266 . . . . 0.0 116.088 177.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -90.16 -18.39 25.87 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 126.916 2.086 . . . . 0.0 112.619 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.8 p -90.1 -0.13 57.44 Favored 'General case' 0 C--N 1.371 1.512 0 C-N-CA 127.214 2.206 . . . . 0.0 111.768 170.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.95 -32.76 4.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.253 0 C-N-CA 127.28 2.232 . . . . 0.0 109.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -82.07 -13.06 57.86 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 125.967 1.707 . . . . 0.0 112.953 171.022 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -89.87 -33.26 16.53 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.265 2.226 . . . . 0.0 111.706 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -24.42 24.87 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 126.719 2.008 . . . . 0.0 112.998 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.4 tp -90.05 -47.21 7.98 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.074 1.349 . . . . 0.0 110.728 177.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -115.94 -119.08 0.31 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -176.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -170.88 58.15 0.03 OUTLIER 'General case' 0 C--N 1.35 0.61 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -144.93 -172.94 3.95 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 p -135.98 -26.42 1.18 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 124.16 0.984 . . . . 0.0 108.734 178.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 123.56 38.4 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -173.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.83 107.52 0.21 Allowed Glycine 0 CA--C 1.489 -1.569 0 N-CA-C 105.341 -3.104 . . . . 0.0 105.341 -163.135 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -112.13 -140.53 0.38 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.616 2.366 . . . . 0.0 106.636 -166.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 p -155.13 175.32 13.99 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 121.429 0.633 . . . . 0.0 110.208 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ttt -97.55 -122.52 0.13 Allowed 'General case' 0 C--N 1.366 1.323 0 C-N-CA 127.044 2.138 . . . . 0.0 107.682 173.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -85.14 -41.21 15.9 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.705 1.602 . . . . 0.0 113.57 179.027 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -139.58 -9.64 1.23 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -166.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -141.11 152.82 45.06 Favored 'General case' 0 CA--C 1.491 -1.317 0 CA-C-N 121.728 2.058 . . . . 0.0 109.109 -171.072 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -129.39 -178.1 4.53 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 105.11 -2.181 . . . . 0.0 105.11 175.838 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.7 138.74 27.48 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 -178.423 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -140.42 68.77 1.35 Allowed 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -161.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--O 1.262 1.75 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 174.542 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.251 0 CA-C-O 120.992 0.425 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -126.3 -40.03 2.0 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.465 1.906 . . . . 0.0 106.894 175.573 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -143.65 172.54 12.67 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 127.5 2.32 . . . . 0.0 105.256 -171.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -149.16 54.02 0.97 Allowed 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 179.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 6' ' ' SER . 1.2 t -99.06 -172.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.371 0 C-N-CA 126.125 1.77 . . . . 0.0 106.69 174.515 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.524 ' H ' HG12 ' A' ' 5' ' ' VAL . 8.0 p -110.87 131.84 54.71 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.173 1.389 . . . . 0.0 108.361 173.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.9 t -141.37 149.2 40.81 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 122.075 0.941 . . . . 0.0 108.787 -179.775 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 p -131.48 -47.23 0.98 Allowed 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.465 1.906 . . . . 0.0 107.639 173.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -104.32 130.56 52.15 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 126.706 2.002 . . . . 0.0 109.167 -177.599 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.4 p -88.0 75.85 8.69 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 126.729 2.012 . . . . 0.0 110.409 179.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -173.06 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.025 2.13 . . . . 0.0 105.521 -178.347 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -56.89 -43.58 81.43 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 129.731 3.212 . . . . 0.0 116.803 178.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -90.08 -21.27 22.38 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.963 2.105 . . . . 0.0 112.32 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 p -89.9 6.35 42.35 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.357 2.263 . . . . 0.0 111.407 171.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.66 -40.88 11.39 Favored 'Isoleucine or valine' 0 C--N 1.368 1.392 0 C-N-CA 127.492 2.317 . . . . 0.0 107.732 173.14 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 m -59.6 -26.78 65.73 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 127.553 2.341 . . . . 0.0 116.047 169.584 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -89.71 -34.43 16.23 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 125.854 1.662 . . . . 0.0 112.961 177.61 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -29.46 53.04 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 127.459 2.303 . . . . 0.0 113.833 -177.531 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.94 -63.07 1.33 Allowed 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.719 2.408 . . . . 0.0 109.151 178.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -104.05 -114.36 0.23 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.467 1.507 . . . . 0.0 108.359 -178.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 p30 179.56 60.3 0.01 OUTLIER 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.263 1.425 . . . . 0.0 108.285 -176.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -144.94 177.88 8.43 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 177.654 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.2 m -141.72 17.29 2.16 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -173.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -106.71 119.95 40.69 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 171.043 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.06 134.6 3.38 Favored Glycine 0 CA--C 1.489 -1.563 0 N-CA-C 105.693 -2.963 . . . . 0.0 105.693 -170.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -145.07 158.13 43.91 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 102.517 -3.142 . . . . 0.0 102.517 174.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -124.89 172.57 9.26 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 108.151 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -122.72 0.14 Allowed 'General case' 0 C--N 1.362 1.147 0 C-N-CA 125.65 1.58 . . . . 0.0 108.22 -176.237 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -85.34 -39.22 17.9 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.815 1.646 . . . . 0.0 113.366 179.127 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -139.12 -15.91 1.1 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.363 -1.303 . . . . 0.0 114.047 -162.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -145.02 152.4 40.08 Favored 'General case' 0 CA--C 1.492 -1.277 0 CA-C-N 121.561 1.982 . . . . 0.0 109.474 -166.107 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -135.3 173.5 11.65 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 171.044 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -139.09 155.4 47.94 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 103.159 -2.904 . . . . 0.0 103.159 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -142.98 67.84 1.31 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -160.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.26 1.607 0 C-N-CA 124.946 1.299 . . . . 0.0 111.455 178.216 . . . . . . . . 0 0 . 1 stop_ save_