data_1b2t_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 1b2t _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 ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.601 0.239 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 6.1 tt -132.16 95.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -104.73 125.32 50.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.6 m -81.19 75.88 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.419 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -66.47 -35.24 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.417 . . . . 0.0 110.621 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 13' ' ' SER . 6.6 mmtp -145.4 -172.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.35 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 t -91.53 -171.62 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.23 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -63.93 137.68 58.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.45 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 12.7 mt -141.17 140.53 21.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 41.0 Cg_exo -55.61 122.32 11.52 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.768 2.312 . . . . 0.0 112.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 22' ' ' ALA . 9.9 p -56.87 -22.11 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' N ' HG11 ' A' ' 21' ' ' VAL . . . -69.69 -5.94 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.214 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.443 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -104.75 -13.72 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.9 mt -82.89 142.94 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.425 HG22 ' HB3' ' A' ' 44' ' ' ARG . 23.9 pt -123.16 -34.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -150.86 152.65 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.5 p90 -133.23 121.03 21.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -101.1 -169.12 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.1 140.93 50.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -62.99 139.62 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.22 137.76 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.38 -10.27 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -117.88 20.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.68 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.58 -79.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.91 -145.83 4.21 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.429 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -57.72 130.42 46.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.18 88.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.94 -152.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 4.1 mm -122.36 148.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.426 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.9 mm -104.91 122.85 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.628 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 82.3 mt -111.09 120.97 44.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.275 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 83.9 tt0 -112.81 125.12 54.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.436 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.527 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 20.6 p -104.6 164.08 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 111.165 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -60.15 -13.07 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.998 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.431 ' OE1' ' NH2' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -104.47 30.63 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 54.38 48.35 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 10.3 ttm-85 -104.84 104.11 13.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 12.5 mt -107.02 96.99 6.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 27.9 m-85 -114.31 165.43 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 7.0 m -113.47 106.67 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.51 146.66 32.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -77.99 134.11 64.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.23 -27.64 31.01 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.781 2.321 . . . . 0.0 112.385 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.13 -39.67 94.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 13.7 mt-10 -48.54 128.27 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.83 -53.69 55.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.378 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.628 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 7.4 p-90 -50.54 -20.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.959 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' A' ' 62' ' ' MET . 75.4 t -88.31 -42.68 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.474 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 13.9 mttt -55.96 -54.91 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.854 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.54 -43.28 77.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.348 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -39.62 41.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 64.2 mtm -71.18 -58.27 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.698 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -49.29 -23.07 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.015 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -74.99 -61.96 1.71 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.915 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.06 -18.13 8.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.665 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.786 0.327 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tt -129.34 139.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 11' ' ' THR . 10.0 t -126.67 129.42 48.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 96.2 m -77.0 80.94 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.451 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 11.9 t -73.08 -45.11 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 13' ' ' SER . 8.2 mmpt? -143.12 -172.88 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.784 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -108.75 162.26 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -110.95 -168.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.23 146.76 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.569 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 6.8 mt -148.8 142.67 16.37 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 37.4 Cg_exo -58.76 128.76 29.28 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.406 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.01 -20.72 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.49 -6.47 25.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -104.47 -16.63 15.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.661 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 41' ' ' LEU . 71.0 mt -81.28 139.4 35.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 44' ' ' ARG . 30.5 pt -122.73 -34.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.535 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.406 ' N ' HG13 ' A' ' 25' ' ' ILE . 2.3 m-70 -149.28 150.2 32.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 1.5 p90 -135.08 140.99 45.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.687 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -131.64 162.82 29.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.072 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 122.54 36.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -42.1 133.04 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' SER . 23.1 mt-30 -65.52 111.83 3.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 81.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' GLN . 25.2 p 176.3 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.03 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 145.48 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.71 -167.43 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.4 156.07 19.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 85.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -124.23 -157.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 40' ' ' ILE . 3.5 mm -124.02 148.91 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.194 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 39' ' ' ILE . 20.6 mm -104.68 118.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.634 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 14.3 mt -105.23 128.79 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.272 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.507 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 23.0 tt0 -120.57 131.8 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.576 ' CG2' ' CG ' ' A' ' 47' ' ' ARG . 47.7 p -105.04 171.9 7.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 111.406 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HB3' HG23 ' A' ' 25' ' ' ILE . 6.7 ptp180 -75.01 0.66 15.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.98 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 46' ' ' HIS . 6.1 mt-30 -104.23 -3.4 24.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 9.4 m-70 86.21 35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.529 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.576 ' CG ' ' CG2' ' A' ' 43' ' ' THR . 0.9 OUTLIER -104.88 142.42 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.608 179.441 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 7.6 mt -131.86 116.34 17.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE1' ' HD3' ' A' ' 47' ' ' ARG . 7.5 m-85 -133.59 129.67 37.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -76.52 105.55 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -107.2 130.04 54.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -75.96 137.42 69.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.18 -21.69 17.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -24.22 66.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 24.0 mt-10 -70.84 130.36 41.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.517 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -58.04 -54.98 40.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.634 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 7.3 p-90 -51.61 -19.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.509 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 99.8 t -88.39 -42.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 37.1 mttm -59.37 -49.55 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.402 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -72.29 -46.27 56.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -48.43 -39.63 23.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mtm -73.31 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.681 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -45.0 -26.41 0.42 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -75.18 -51.14 14.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 mt -65.21 -23.49 67.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.427 HG21 ' O ' ' A' ' 10' ' ' ILE . 6.1 tt -134.98 117.11 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -110.18 122.97 48.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.84 63.46 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.03 -177.75 5.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.82 145.42 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -92.45 -175.13 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.46 ' O ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.84 175.94 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -54.03 148.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 17' ' ' SER . 18.4 mt -148.78 137.77 12.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 41.6 Cg_exo -55.56 132.03 49.7 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.823 2.349 . . . . 0.0 112.356 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG12 ' HB3' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -68.91 -22.75 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -12.15 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 22.0 mt -104.93 -20.15 13.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.93 136.38 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.464 HG22 ' CA ' ' A' ' 44' ' ' ARG . 23.1 pt -106.65 -41.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.435 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -161.25 164.05 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.023 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 5.1 p90 -130.57 147.12 52.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.526 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -120.62 -166.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.46 100.76 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.414 ' HB2' HD12 ' A' ' 40' ' ' ILE . 35.3 t30 -43.24 137.5 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -66.23 122.96 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 84.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 p -173.51 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.93 132.05 54.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.753 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -117.88 12.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -130.2 150.76 51.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 85.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.2 -166.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mm -107.84 152.61 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.526 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.0 mm -104.98 129.2 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.645 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 58.4 mt -118.39 117.4 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 46.1 tt0 -111.82 126.86 55.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.536 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 19.6 p -104.23 163.74 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.976 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.464 ' CA ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -58.02 -14.11 5.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -104.04 33.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.601 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 51.01 49.84 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.536 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 6.9 ttm180 -104.55 103.21 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 19.1 mt -107.48 105.01 14.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.522 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 35.4 m-85 -122.14 151.09 41.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.42 100.88 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.25 125.64 51.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 135.65 95.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.466 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 35.5 Cg_endo -64.43 -6.97 12.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.867 2.378 . . . . 0.0 112.434 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -14.55 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.33 132.28 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.6 -49.3 78.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.335 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.645 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 8.3 p-90 -50.65 -20.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.009 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -88.47 -43.33 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.794 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 49.6 mttt -66.95 -40.91 87.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.251 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CB ' HE22 ' A' ' 56' ' ' GLN . 1.3 m-20 -74.17 -42.94 59.11 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.029 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 57' ' ' TRP . . . -50.81 -46.64 59.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.501 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.4 mtm -67.07 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.524 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -45.01 -28.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.441 ' HB3' HG12 ' A' ' 21' ' ' VAL . 77.6 t60 -75.64 -52.09 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.476 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.52 -25.23 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.765 0.317 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 tt -135.09 129.21 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -125.22 171.08 10.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' SG ' ' ND2' ' A' ' 30' ' ' ASN . 77.3 m -109.21 33.72 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 21.1 t -59.22 88.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' SER . 13.1 tptt 85.7 150.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.764 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.0 mmt -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -75.78 -168.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -105.35 -173.49 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.01 143.02 49.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.6 mt -145.27 137.13 13.02 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 37.3 Cg_endo -67.0 124.5 12.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.262 . . . . 0.0 112.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 p -52.78 -24.45 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.66 -11.81 28.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -104.98 -19.1 13.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD22 HG23 ' A' ' 43' ' ' THR . 12.1 mt -73.05 126.93 31.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 44' ' ' ARG . 32.8 pt -106.71 -28.14 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 142.53 16.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 20.2 p90 -120.35 105.88 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.452 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -93.76 -175.46 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 138.63 53.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.787 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.422 ' ND2' ' SG ' ' A' ' 12' ' ' CYS . 28.1 t-20 -58.41 142.04 49.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.99 128.29 34.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 33' ' ' SER . . . -65.45 82.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 163.64 -24.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.2 m -108.96 146.9 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 35.95 -147.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.573 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 153.65 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.707 0.289 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 76.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.24 -167.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.0 mm -106.88 153.53 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.205 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.452 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 2.4 mm -104.85 127.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.626 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 7.6 mt -114.14 121.37 43.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 63.8 tt0 -116.01 126.53 53.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.699 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.533 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 24.3 p -104.64 166.26 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' N ' HG22 ' A' ' 25' ' ' ILE . 8.0 ptm180 -66.13 -8.52 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -104.18 22.42 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.781 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 62.8 46.42 5.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.62 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 4.8 ttm-85 -104.44 102.31 11.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 2.2 mt -109.86 109.11 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.62 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.2 m-85 -133.81 -179.83 5.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 2.4 m -117.56 116.12 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.81 159.09 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -90.6 126.32 56.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.57 -19.69 14.45 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.46 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 4.3 mmtp -79.35 -20.67 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -62.2 129.39 40.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -56.42 -57.36 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.234 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.626 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 20.7 p-90 -53.54 -19.16 3.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.522 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 71.2 t -88.27 -35.91 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 53.5 mttt -66.84 -51.7 52.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 110.046 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -69.03 -46.57 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.223 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -47.74 -47.26 30.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.0 110.349 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.9 mtm -70.54 -57.67 4.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.512 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.56 -26.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 109.899 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -74.52 -56.25 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.732 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.96 -35.26 74.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.905 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.875 0.369 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 tt -132.2 90.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -104.9 135.12 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.77 59.1 4.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.99 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -75.13 -12.9 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.01 153.21 33.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 132.95 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 49' ' ' PHE . 3.5 t -73.54 -169.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.85 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -78.24 111.96 14.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.537 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 13.2 mt -111.93 138.65 21.73 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.537 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 19.4 Cg_endo -58.31 125.23 17.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.835 2.357 . . . . 0.0 112.255 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.78 -21.78 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.2 -16.59 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.72 -26.85 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -58.22 130.46 46.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.634 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 44' ' ' ARG . 8.8 pt -112.37 -36.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -151.25 155.35 38.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.008 0.432 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.488 ' CE1' ' OD1' ' A' ' 66' ' ' ASP . 4.4 p90 -135.15 139.96 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.64 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.85 172.01 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.87 0.367 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.6 tt0 -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' CB ' ' A' ' 34' ' ' CYS . 40.7 t-20 -36.92 129.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -49.17 152.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -75.39 54.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.9 p 159.43 42.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -116.16 -74.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.18 -128.32 2.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 178.06 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 64.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.57 -175.57 2.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 4.5 mm -114.82 161.94 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.527 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 11.0 mm -111.68 127.72 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.623 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 15.3 mt -117.47 131.85 56.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.525 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 29.9 tt0 -124.96 123.72 40.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.562 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 1.8 p -105.0 161.18 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.058 0.456 . . . . 0.0 111.553 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.527 ' N ' HG22 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -56.63 -13.79 2.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.669 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -103.92 33.11 3.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 52.59 47.77 23.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.5 100.52 10.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.709 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.525 ' CD2' ' HB2' ' A' ' 42' ' ' GLU . 15.2 mt -104.93 93.65 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 3.2 m-85 -123.25 153.04 40.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 56.1 m -91.94 129.99 37.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . . . -123.84 135.95 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.98 127.57 91.55 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HG3' HG12 ' A' ' 39' ' ' ILE . 51.6 Cg_exo -54.13 -22.42 25.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.782 2.321 . . . . 0.0 112.203 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.95 -10.83 59.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB2' HG22 ' A' ' 58' ' ' VAL . 40.0 mt-10 -76.39 133.24 39.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.25 -61.14 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.159 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.623 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 8.5 p-90 -51.53 -18.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.759 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 51' ' ' ALA . 57.5 t -87.86 -45.42 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.12 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 22.8 mttm -56.74 -52.34 65.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.011 0.434 . . . . 0.0 110.146 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.35 -47.42 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -44.97 -40.85 6.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.018 0.437 . . . . 0.0 110.301 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.0 mtm -69.61 -55.85 8.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -45.86 -26.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.025 0.441 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -75.85 -54.8 6.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.585 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 4.6 mt -60.44 -29.98 69.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.93 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' CE1' ' A' ' 27' ' ' TYR . 31.0 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 6.3 tt -133.96 95.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.375 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.4 m -104.95 103.89 13.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.412 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.6 m -68.72 82.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.336 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -75.41 -19.33 59.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.542 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 -178.53 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.584 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.75 152.49 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -91.91 -169.94 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 p -104.82 174.27 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.781 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -71.2 122.1 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.452 ' O ' ' CE3' ' A' ' 57' ' ' TRP . 16.6 mt -121.07 137.72 27.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -56.06 128.47 30.34 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.77 2.313 . . . . 0.0 112.421 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.434 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.9 p -64.93 -23.6 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -12.58 19.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -104.69 -21.87 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -73.47 142.87 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 44.2 pt -122.75 -26.75 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.453 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' HA ' HD11 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -161.09 147.19 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 39.7 p90 -119.57 124.94 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.524 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -103.87 -177.09 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.97 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.42 153.08 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 31' ' ' GLN . 8.1 t-20 -86.68 150.34 24.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.49 ' OE1' ' N ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -76.8 149.04 36.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.03 45.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.193 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.1 p -131.5 37.94 3.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 11' ' ' THR . 30.7 m -135.24 45.59 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.8 -138.52 13.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 128.29 34.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.318 . . . . 0.0 110.841 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 89.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ASN . . . -123.58 -162.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 13.9 mm -112.49 154.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.524 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 10.0 mm -105.03 142.9 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 29.3 mt -125.71 116.71 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 61.4 tt0 -112.73 124.02 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.569 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.534 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 20.3 p -104.95 164.63 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.381 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 13.7 ptp180 -60.04 -13.56 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.2 30.81 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 53.85 49.25 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.581 ' HG2' ' CD1' ' A' ' 49' ' ' PHE . 10.4 ttt-85 -104.74 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 43.9 mt -110.09 110.63 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.777 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 47' ' ' ARG . 21.5 m-85 -133.12 155.65 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.8 m -96.49 99.79 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.31 140.26 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.001 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.95 139.56 85.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.36 -11.56 30.81 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.864 2.376 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -18.67 56.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 62.3 mt-10 -67.43 129.79 41.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.538 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -56.74 -57.96 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.096 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 11.3 p-90 -50.57 -17.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.004 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.52 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 93.4 t -88.01 -38.08 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.416 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.487 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 44.9 mttt -64.41 -48.53 75.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.873 0.368 . . . . 0.0 110.201 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.504 ' OD2' ' NE2' ' A' ' 56' ' ' GLN . 91.0 m-20 -72.68 -44.67 61.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.217 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -47.98 -39.65 20.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.55 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 35.8 mtm -71.49 -61.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -44.75 -27.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.766 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -73.03 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.58 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 25' ' ' ILE . 25.0 mt -65.79 -29.32 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.82 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.46 0.058 0 CA-C-O 120.72 0.295 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 40' ' ' ILE . 6.0 tt -124.76 142.95 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.913 0.387 . . . . 0.0 111.539 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' HG21 ' A' ' 11' ' ' THR . 11.7 t -134.43 138.8 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.637 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.4 m -99.77 71.3 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -32.88 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 155.67 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.1 176.87 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -128.79 -179.24 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -105.8 -177.58 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HG3' ' CB ' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -58.48 150.19 23.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 40.6 mt -148.16 139.21 13.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 11.5 Cg_endo -54.49 124.47 16.19 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.954 2.436 . . . . 0.0 112.29 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -20.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -10.05 23.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.74 -20.03 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 85.9 mt -68.2 130.08 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.445 HG22 ' HB3' ' A' ' 44' ' ' ARG . 47.3 pt -120.84 -28.85 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.69 142.9 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 10.7 p90 -124.12 146.85 48.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.48 163.08 29.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -100.73 146.51 27.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -75.51 142.35 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.8 mm-40 -90.58 131.1 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -59.72 80.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.77 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.91 119.52 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.29 43.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.7 170.36 9.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.802 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 86.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -127.77 -157.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 4.8 mm -131.62 153.36 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 10' ' ' ILE . 8.4 mm -108.8 131.78 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.621 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 36.8 mt -117.11 121.56 41.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 36.5 tt0 -110.7 126.03 54.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.533 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 14.4 p -104.34 163.62 12.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.962 0.411 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HB3' HG22 ' A' ' 25' ' ' ILE . 1.8 ptt180 -55.42 -16.06 3.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.93 35.46 2.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 49.09 49.91 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.588 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -104.65 102.96 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 77.9 mt -107.57 102.81 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 7.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.94 98.19 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 128.59 53.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 137.29 97.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.464 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 41.2 Cg_endo -67.12 -4.49 11.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.785 2.323 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -23.67 39.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.017 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.51 135.17 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -61.08 -47.48 86.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.44 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.621 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 10.9 p-90 -50.88 -20.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.053 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.5 t -88.77 -37.52 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HE3' ' O ' ' A' ' 53' ' ' PRO . 2.3 mttt -68.76 -43.22 76.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' OD2' ' NE2' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -75.04 -42.55 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.198 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -53.36 -44.58 68.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.698 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 27.1 mtm -71.12 -53.13 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.697 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -30.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.67 -56.04 5.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.778 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 24' ' ' LEU . 84.4 mt -57.34 -27.03 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.917 0.389 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 48' ' ' LEU . 5.6 tt -135.04 121.86 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.233 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.06 134.99 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.651 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.0 m -91.5 55.39 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -75.21 -33.62 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.53 155.3 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.3 mmt -102.51 160.8 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.52 ' OG1' ' CE1' ' A' ' 49' ' ' PHE . 1.6 t -107.34 -168.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 16' ' ' THR . 0.3 OUTLIER -104.78 -177.55 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -72.63 137.14 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.636 ' CD1' ' CE2' ' A' ' 49' ' ' PHE . 8.8 mt -134.57 139.52 32.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.534 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 9.5 Cg_endo -51.53 131.79 38.18 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.844 2.363 . . . . 0.0 112.036 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -61.36 -23.13 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.78 -4.28 23.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HG ' ' HG2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -104.79 -3.9 22.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.093 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.5 mt -97.73 133.33 42.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.445 HG22 ' HG2' ' A' ' 44' ' ' ARG . 13.6 pt -105.1 -29.94 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -160.2 162.08 33.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -132.39 146.21 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.2 162.57 36.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 145.7 27.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.96 168.0 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.411 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 18.3 mt-30 -100.84 155.15 18.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -4.05 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -100.38 14.79 29.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 31' ' ' GLN . 4.0 m -125.43 -157.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 -161.96 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 158.87 0.4 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -74.52 73.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.04 -172.9 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mm -111.29 148.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.088 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mm -105.85 119.21 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.583 HD11 ' CH2' ' A' ' 57' ' ' TRP . 64.3 mt -104.98 130.21 53.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.996 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -104.48 127.38 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 64.6 p -104.44 168.54 9.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HG2' HG22 ' A' ' 25' ' ' ILE . 11.5 mtm180 -59.43 -17.29 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -104.67 32.53 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 48.67 49.78 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.638 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -107.37 126.53 52.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 9.5 mt -107.64 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 47' ' ' ARG . 7.3 m-85 -111.71 129.87 55.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.97 82.14 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.51 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.56 ' CB ' ' CG2' ' A' ' 58' ' ' VAL . . . -104.95 123.3 47.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.239 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.5 138.8 75.68 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG3' HG12 ' A' ' 39' ' ' ILE . 71.2 Cg_exo -47.9 -20.52 2.05 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.768 2.312 . . . . 0.0 112.573 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -70.56 -49.08 51.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.967 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' OE2' ' HA ' ' A' ' 51' ' ' ALA . 41.6 mt-10 -38.3 129.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.543 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.43 -56.74 18.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.527 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.583 ' CH2' HD11 ' A' ' 41' ' ' LEU . 5.0 p-90 -50.08 -18.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.56 ' CG2' ' CB ' ' A' ' 51' ' ' ALA . 68.0 t -88.09 -41.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -66.34 -48.08 71.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.423 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.5 -43.86 68.81 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.222 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -49.32 -44.84 44.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtp -68.35 -49.58 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.84 -33.06 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -75.82 -49.78 17.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.554 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.64 -32.59 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 10' ' ' ILE . 2.6 p30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.907 0.384 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.442 ' N ' ' CG ' ' A' ' 9' ' ' ASN . 5.5 tt -135.14 129.18 50.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.396 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -122.62 110.11 15.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 5.0 m -69.78 63.28 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -70.51 -48.9 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.57 164.65 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.426 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -88.26 156.68 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.078 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 t -104.55 -172.87 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 19' ' ' ILE . 3.6 m -104.81 161.65 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HG2' ' CB ' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -50.04 135.74 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.48 HG21 ' HD2' ' A' ' 20' ' ' PRO . 14.7 mt -131.83 130.24 22.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HD2' HG21 ' A' ' 19' ' ' ILE . 73.7 Cg_exo -47.52 121.62 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.733 2.289 . . . . 0.0 112.366 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 61' ' ' ALA . 9.1 p -59.33 -24.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -7.5 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HA ' ' CD ' ' A' ' 44' ' ' ARG . 11.6 mt -104.52 -18.65 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD22 HG23 ' A' ' 43' ' ' THR . 90.3 mt -78.26 126.56 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.519 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 3.2 pt -111.61 -30.02 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -147.32 141.39 26.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.957 0.408 . . . . 0.0 111.308 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 12.0 p90 -122.3 116.4 24.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -109.18 -172.97 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.235 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.9 140.91 52.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.651 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -62.95 155.99 25.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -93.15 143.26 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.63 60.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.78 36.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -134.98 -89.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.89 -116.47 2.4 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 7.7 mmtm -98.72 141.45 31.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 1.3 ptt85 -61.32 90.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.83 -163.25 1.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.318 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.46 HG21 ' O ' ' A' ' 28' ' ' GLN . 8.5 mm -113.97 153.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.454 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 4.8 mm -104.8 125.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.623 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 7.9 mt -113.32 115.79 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 25.1 tt0 -106.75 129.33 54.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.528 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 23.4 p -104.58 166.9 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.519 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -63.34 -10.78 18.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -104.78 21.57 16.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 63.1 45.9 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.528 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 2.4 ttt85 -104.91 108.03 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.464 HD23 ' HG3' ' A' ' 42' ' ' GLU . 0.6 OUTLIER -110.29 107.01 16.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.499 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 33.0 m-85 -123.83 147.17 47.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.4 m -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.84 143.72 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -84.44 125.2 72.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 76.8 Cg_exo -49.57 -20.82 4.57 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.666 2.244 . . . . 0.0 112.25 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -62.39 -33.08 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 23.8 mt-10 -71.22 134.23 46.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.19 -51.68 68.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.623 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 7.2 p-90 -48.83 -21.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 111.111 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.429 HG22 ' HB2' ' A' ' 55' ' ' GLU . 83.9 t -88.36 -44.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.05 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 10.8 mttt -65.17 -41.55 94.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.402 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.06 -45.03 44.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.06 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -51.39 -48.83 62.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.605 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 mtp -66.53 -53.39 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.48 -28.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 109.855 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -75.41 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.63 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.86 -21.13 56.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.721 0.296 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.461 HG21 ' O ' ' A' ' 10' ' ' ILE . 6.1 tt -135.29 117.53 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -115.11 134.09 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.39 66.15 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -30.57 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -179.26 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.448 ' HE3' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -112.4 128.72 56.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -70.01 -171.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 m -106.57 -176.97 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' C ' HG13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -61.82 152.96 30.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.575 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 84.9 mt -150.08 142.77 15.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 9.8 Cg_endo -50.64 130.23 29.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.09 2.527 . . . . 0.0 112.598 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.587 HG23 ' CG ' ' A' ' 64' ' ' HIS . 5.3 p -67.8 -37.88 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.82 3.6 9.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.549 ' CD2' ' HG2' ' A' ' 20' ' ' PRO . 2.0 mp -103.98 -10.15 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.657 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.85 141.13 29.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.643 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 26' ' ' HIS . 45.7 pt -119.32 -37.27 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.656 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.511 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -141.94 144.92 33.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.992 0.425 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -135.19 130.74 35.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.516 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.94 173.99 10.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HG3' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -96.51 136.83 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -72.53 -172.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -100.11 139.98 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.48 -4.45 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -105.91 15.17 27.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -134.69 113.19 11.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.13 -142.29 23.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 152.17 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -68.19 86.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.1 -160.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 3.4 mm -117.29 153.88 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.4 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 19.9 mm -105.32 113.31 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 21.1 mt -106.01 124.82 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 39.9 tt0 -112.3 130.48 55.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.524 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 24.1 p -104.55 165.67 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.23 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 9.7 ptp180 -63.37 -11.66 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -104.6 25.87 9.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 58.19 47.39 14.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.787 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.563 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 1.4 ttm180 -104.72 107.89 19.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.5 mt -108.15 103.88 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.563 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 36.2 m-85 -126.28 141.98 51.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 18.4 m -84.06 105.66 15.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.495 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . . . -108.17 120.63 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' HE3' ' A' ' 15' ' ' MET . 0.1 OUTLIER -62.84 135.96 96.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 36.1 Cg_exo -57.19 -25.54 64.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.795 2.33 . . . . 0.0 112.382 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 18.1 mmtp -66.6 -28.05 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.47 129.38 39.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.538 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.05 -61.44 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.291 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 7.8 p-90 -44.82 -23.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.506 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 51' ' ' ALA . 61.6 t -87.79 -47.83 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.692 0.282 . . . . 0.0 111.023 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 63.7 mttt -52.31 -55.04 24.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 109.978 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.78 -44.06 82.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.228 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -50.43 -47.25 56.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mtm -68.56 -54.21 18.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.672 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -51.98 -22.05 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.097 0.475 . . . . 0.0 109.737 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.625 ' CG ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -73.78 -64.62 0.96 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.403 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.625 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 10.0 mt -48.08 -57.67 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 tt -135.08 124.89 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' OG ' ' A' ' 13' ' ' SER . 8.9 t -111.31 119.61 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 60.7 m -67.13 64.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.434 ' OG ' HG22 ' A' ' 11' ' ' THR . 27.1 m -75.13 -13.65 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.03 -170.29 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.814 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.407 ' CE ' ' OD1' ' A' ' 52' ' ' ASP . 13.2 mmt -130.78 136.26 48.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 t -81.06 -175.09 5.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -104.85 165.25 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.17 111.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.434 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.1 mt -108.74 141.21 22.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.434 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 46.1 Cg_exo -54.96 124.77 17.11 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.776 2.318 . . . . 0.0 112.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 61' ' ' ALA . 9.9 p -60.79 -24.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.89 -6.72 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 78.0 mt -104.9 -17.36 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.758 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' A' ' 24' ' ' LEU . 42.1 mt -78.94 138.96 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 46.2 pt -116.09 -30.91 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.85 150.82 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' C ' ' CG ' ' A' ' 28' ' ' GLN . 54.2 p90 -112.51 -173.19 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.469 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 17.2 mt-30 -157.07 162.58 39.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.64 102.26 11.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 34' ' ' CYS . 7.6 t30 -57.55 138.05 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.66 164.52 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.89 -1.94 24.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.298 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -107.3 13.65 26.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' HB2' ' ND2' ' A' ' 30' ' ' ASN . 3.2 m -122.1 112.01 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.57 -119.75 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.38 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 149.19 27.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.737 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 87.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -123.2 -160.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.1 mm -121.7 150.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 3.7 mm -105.01 131.77 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.638 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 5.1 mt -113.75 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.524 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 18.7 tt0 -110.78 128.93 55.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.67 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.513 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 19.2 p -104.78 167.11 9.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.972 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 11.7 ptp180 -68.18 -7.01 26.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 1.4 tt0 -105.02 18.05 23.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 33.5 m-70 66.66 44.41 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 1.3 ttm-85 -105.11 110.94 23.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.524 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 1.6 mt -112.48 113.23 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 38.4 m-85 -132.34 160.82 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 m -103.63 110.53 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.97 139.66 44.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -67.87 129.29 93.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 19.7 Cg_endo -60.74 -12.55 22.15 Favored 'Trans proline' 0 C--N 1.34 0.093 0 C-N-CA 122.786 2.324 . . . . 0.0 112.335 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -33.4 53.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 5.8 mt-10 -61.44 132.35 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.526 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.49 -50.6 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.638 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 6.5 p-90 -47.07 -22.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.049 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 57' ' ' TRP . 40.8 t -88.53 -51.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.327 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 79.6 mttt -55.15 -43.6 74.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.27 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -43.07 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.05 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -53.27 -36.24 60.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 62.5 mtm -74.23 -60.34 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.487 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -44.85 -27.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -75.53 -59.18 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.896 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.3 mt -53.71 -25.04 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.813 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.424 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 5.4 tt -134.85 123.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.26 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 t -113.64 151.31 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.5 m -105.28 72.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -36.54 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -141.75 -179.65 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmt -107.47 163.37 13.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -111.82 -166.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -104.79 -173.23 2.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG3' ' HB3' ' A' ' 57' ' ' TRP . 6.9 tttt -71.94 144.13 49.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.529 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 69.4 mt -139.44 140.36 25.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.529 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 13.8 Cg_endo -56.82 119.08 6.07 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.834 2.356 . . . . 0.0 112.3 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 24' ' ' LEU . 8.0 p -58.88 -20.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.48 -9.91 21.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 ' CD1' ' HG2' ' A' ' 20' ' ' PRO . 4.0 mt -105.06 -20.43 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 81.4 mt -67.77 133.11 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.582 ' CG2' ' CG ' ' A' ' 44' ' ' ARG . 17.6 pt -116.58 -35.18 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.97 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.506 ' N ' HG13 ' A' ' 25' ' ' ILE . 2.4 m-70 -166.67 148.91 6.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -117.16 143.51 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.8 169.11 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -112.21 106.6 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.26 152.96 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 3.7 mm-40 -83.43 141.78 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.85 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -83.43 -9.79 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.6 m -111.18 135.63 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.55 -139.2 0.36 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.66 162.41 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -67.53 86.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.21 -166.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 mm -125.55 151.69 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 mm -104.75 141.1 20.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.548 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 87.1 mt -127.23 118.48 24.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.127 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 21.2 tt0 -106.06 131.23 53.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.488 ' OG1' ' HB3' ' A' ' 47' ' ' ARG . 30.9 p -104.33 168.47 9.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.872 0.368 . . . . 0.0 111.377 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.582 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 39.6 mtp180 -60.5 -13.72 15.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.42 20.44 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 61.38 49.15 5.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.78 108.78 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' A' ' 42' ' ' GLU . 82.3 mt -105.69 117.23 33.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 13.5 m-85 -127.17 162.81 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.28 95.87 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 58' ' ' VAL . . . -105.55 138.12 42.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.63 138.45 85.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.7 -20.35 57.98 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.826 2.35 . . . . 0.0 112.289 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -73.15 -28.92 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 44.9 mt-10 -56.24 132.13 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -57.43 -57.16 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.548 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 9.0 p-90 -53.19 -17.64 1.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 86.7 t -88.48 -35.85 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -67.76 -48.39 66.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -72.92 -44.94 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -50.58 -43.84 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.9 mtm -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -48.06 -24.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 109.916 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -75.52 -48.29 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.97 -29.19 70.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.777 0.323 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 5.0 tt -134.91 120.89 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.29 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.46 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 9.9 t -105.33 117.56 34.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.31 61.9 2.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -24.04 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -153.76 160.0 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.761 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.2 mmt -91.89 158.96 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -105.94 -167.98 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.9 m -104.7 168.59 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' C ' HG13 ' A' ' 19' ' ' ILE . 10.3 tttt -50.8 159.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.472 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 36.4 mt -157.2 138.56 9.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD2' HG21 ' A' ' 19' ' ' ILE . 31.9 Cg_exo -60.42 123.66 13.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.793 2.329 . . . . 0.0 112.289 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.05 -22.37 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.14 -10.19 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.178 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -104.48 -21.31 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.519 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 23.2 mt -75.2 133.74 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 17.3 pt -121.83 -29.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.22 150.93 20.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.211 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 2.1 p90 -134.91 147.65 49.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -133.28 179.15 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.086 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -110.31 141.52 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.86 172.16 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' SER . 59.0 mt-30 -113.99 132.11 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -60.15 82.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.03 -30.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -105.4 139.99 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.68 -114.69 0.97 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.644 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 166.3 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 89.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.738 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.65 -162.0 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.513 ' CG1' ' HG3' ' A' ' 53' ' ' PRO . 3.2 mm -122.63 153.4 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 10' ' ' ILE . 5.4 mm -104.7 126.24 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.916 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.573 HD11 ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -116.14 127.9 55.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.439 . . . . 0.0 111.159 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HG3' HD22 ' A' ' 48' ' ' LEU . 77.2 tt0 -119.57 128.2 53.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.592 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.529 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 21.1 p -104.71 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 22.0 ptt180 -68.27 -6.6 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -104.59 19.06 21.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 70.3 m-70 65.44 44.99 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.591 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 7.0 ttt-85 -104.9 106.2 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.45 HD22 ' HG3' ' A' ' 42' ' ' GLU . 30.5 mt -111.79 112.39 24.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.591 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 22.0 m-85 -135.07 167.69 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.011 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -107.19 117.69 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -119.3 137.08 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.068 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -74.42 129.55 83.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.513 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 53.4 Cg_exo -52.03 -20.17 9.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -71.59 -21.06 61.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' HB2' HG22 ' A' ' 58' ' ' VAL . 43.9 mt-10 -69.29 131.02 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.3 OUTLIER -56.99 -55.23 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.498 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.573 ' CH2' HD11 ' A' ' 41' ' ' LEU . 13.7 p-90 -53.93 -16.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.6 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 55' ' ' GLU . 49.1 t -88.06 -37.35 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -66.35 -50.31 63.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.136 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.75 -42.57 70.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -51.64 -41.65 61.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.757 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.8 mtm -73.79 -63.68 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -26.16 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 109.953 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -75.17 -56.97 4.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -45.39 -37.97 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.891 0.377 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.462 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 5.8 tt -131.85 117.16 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.022 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 11' ' ' THR . 7.8 t -104.78 98.19 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.02 76.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.81 -50.57 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -119.13 -175.62 2.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.9 mmt -118.53 131.74 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -72.34 -170.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -105.17 165.88 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -57.43 134.08 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.983 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.584 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 3.0 mt -132.48 142.17 43.9 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 39.0 Cg_exo -56.21 137.12 78.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.512 ' CG1' ' HA ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -68.99 -23.21 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.27 -8.67 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 15.5 mt -104.65 -18.74 14.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.811 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 61' ' ' ALA . 21.4 mt -78.3 149.36 33.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.534 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 23.8 pt -125.45 -36.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.404 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.489 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -150.71 159.92 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 111.277 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 17.8 p90 -132.63 145.25 50.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.633 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -145.22 163.28 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.17 159.56 14.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.19 161.06 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 33' ' ' SER . 51.6 mt-30 -86.65 121.37 29.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -57.09 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 163.31 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 130.75 53.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.89 -159.17 0.11 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 158.76 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 87.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.32 -164.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.043 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.434 HG21 ' O ' ' A' ' 28' ' ' GLN . 9.8 mm -126.71 153.72 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mm -108.66 121.13 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.578 HD11 ' CZ3' ' A' ' 57' ' ' TRP . 12.5 mt -106.27 125.5 51.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 31.6 tt0 -104.71 128.8 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.529 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 14.2 p -104.5 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.985 0.421 . . . . 0.0 111.161 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.534 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.6 mtm180 -63.92 -12.9 41.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -104.79 18.7 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 61.42 46.25 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.627 ' NE ' ' CZ ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.54 126.91 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.714 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 51.9 mt -108.24 111.42 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CZ ' ' NE ' ' A' ' 47' ' ' ARG . 4.8 m-85 -107.7 134.81 50.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -91.59 86.36 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.277 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.529 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . . . -104.58 131.84 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.414 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.86 142.23 97.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.18 -19.51 16.6 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.768 2.312 . . . . 0.0 112.28 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -80.22 -10.56 59.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.512 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 16.2 mt-10 -71.91 131.28 42.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.507 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -56.6 -58.4 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.283 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.578 ' CZ3' HD11 ' A' ' 41' ' ' LEU . 3.5 p-90 -53.99 -16.67 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.475 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.529 ' CG2' ' HB2' ' A' ' 51' ' ' ALA . 74.4 t -88.14 -42.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.706 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -61.03 -51.82 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.279 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.18 -45.64 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.597 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -48.39 -37.09 16.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.559 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 13.1 mtm -75.13 -62.11 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.839 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -27.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.116 0.484 . . . . 0.0 109.938 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -75.67 -58.77 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.872 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.488 HD12 ' CA ' ' A' ' 26' ' ' HIS . 16.0 mt -55.0 -37.48 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.813 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.764 0.316 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 5.0 tt -135.18 119.29 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -122.94 152.83 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 72.2 m -98.7 63.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.42 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.77 -24.99 58.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 13' ' ' SER . 4.5 tptp -147.69 -172.04 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mmt -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -89.08 -169.4 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.9 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -66.16 123.11 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.416 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 28.8 mt -123.26 136.71 27.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB2' HD21 ' A' ' 23' ' ' LEU . 35.3 Cg_exo -58.63 138.64 86.86 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.808 2.339 . . . . 0.0 112.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -68.69 -25.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 179.697 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 -9.24 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -104.75 -19.97 13.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 43' ' ' THR . 19.7 mt -81.97 129.36 34.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.786 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.502 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 22.1 pt -113.58 -27.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.06 152.0 30.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.269 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 26.3 p90 -133.5 111.42 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.49 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.438 ' HG3' HG23 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -97.46 -167.38 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.506 ' CA ' HG12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -132.17 125.46 31.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 40' ' ' ILE . 8.7 t30 -62.38 129.69 41.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.445 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -50.55 133.2 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -11.96 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.21 18.53 12.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 31' ' ' GLN . 2.7 m -129.25 -153.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -48.19 -179.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.425 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -45.23 142.38 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -63.64 89.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.42 -156.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 9.3 mm -119.93 152.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.506 HG12 ' CA ' ' A' ' 29' ' ' GLN . 12.3 mm -105.12 129.73 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 6.9 mt -122.91 117.5 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 22.0 tt0 -109.75 124.86 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.528 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 5.5 p -104.46 162.46 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 111.462 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 6.8 mtp85 -50.07 -19.29 0.7 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.548 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -103.58 40.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 42.91 51.26 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.611 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 6.1 ttm-85 -104.44 102.39 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 21.5 mt -106.63 111.03 23.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.593 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 13.3 m-85 -128.46 162.49 27.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -101.72 105.26 16.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -106.76 132.83 52.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -68.98 131.99 90.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HG3' HG12 ' A' ' 39' ' ' ILE . 50.4 Cg_exo -53.57 -19.63 14.34 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.773 2.316 . . . . 0.0 112.245 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -74.2 -37.93 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 15.6 mt-10 -48.77 119.7 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -49.65 -55.85 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.357 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.525 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 20.1 p-90 -51.25 -19.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.451 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 78.9 t -88.36 -39.74 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -61.89 -48.56 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.399 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -73.84 -46.3 45.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.539 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -51.26 -43.04 61.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.967 0.413 . . . . 0.0 110.689 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -68.3 -56.66 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.78 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.46 -28.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 109.879 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -75.55 -50.89 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.618 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.71 -24.61 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 5.6 tt -132.61 93.05 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -105.35 115.14 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.595 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.4 m -73.94 54.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 t -75.49 -16.65 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.752 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -147.94 124.64 11.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 171.37 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -120.09 -172.32 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -113.7 155.53 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.405 HG13 ' CH2' ' A' ' 57' ' ' TRP . 4.0 mt -145.48 136.41 12.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 51.6 Cg_exo -52.8 116.48 2.92 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.722 2.281 . . . . 0.0 112.488 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.07 -14.97 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.762 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.64 -12.9 61.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -104.44 -12.17 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.791 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 41' ' ' LEU . 67.2 mt -79.99 124.07 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.724 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.525 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 20.5 pt -109.36 -28.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.26 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.05 141.57 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -113.05 163.57 14.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.493 ' CB ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -141.82 -159.56 0.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.08 127.34 16.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.64 167.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.39 156.19 19.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -6.79 41.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.44 4.74 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' GLY . 9.1 m -116.23 -162.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.831 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -56.77 -150.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.39 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.15 89.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.99 -153.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.5 mm -119.4 150.67 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.067 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.493 ' HB ' ' CB ' ' A' ' 28' ' ' GLN . 14.4 mm -104.88 132.61 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.646 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 52.6 mt -117.88 114.42 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 29.1 tt0 -110.88 125.58 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.518 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 28.7 p -104.69 166.69 10.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 14.5 ptp180 -63.35 -11.9 26.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.963 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 26.86 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 57.73 48.46 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.518 ' CB ' ' OG1' ' A' ' 43' ' ' THR . 5.4 ttm-85 -104.76 105.74 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 79.3 mt -110.83 104.01 12.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.749 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 37.3 m-85 -122.82 162.0 22.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -101.46 120.91 41.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB3' HG23 ' A' ' 58' ' ' VAL . . . -125.67 131.49 52.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.32 129.74 83.64 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HG3' HG12 ' A' ' 39' ' ' ILE . 36.9 Cg_exo -56.94 -14.7 14.86 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.822 2.348 . . . . 0.0 112.207 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' O ' ' CE ' ' A' ' 59' ' ' LYS . 25.1 mtmt -70.26 -28.23 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -74.31 133.7 42.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.707 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.535 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.11 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.484 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 p-90 -46.87 -22.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.221 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.488 HG21 ' NE1' ' A' ' 57' ' ' TRP . 95.9 t -88.08 -48.7 14.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 54' ' ' LYS . 44.7 mttt -61.81 -40.47 95.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.893 0.378 . . . . 0.0 110.227 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.59 -42.39 61.62 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.821 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.6 -46.73 58.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.427 ' SD ' HD13 ' A' ' 39' ' ' ILE . 64.4 mtm -68.52 -55.42 11.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.688 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -52.34 -21.31 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 109.841 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -74.67 -58.87 3.01 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.806 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.429 ' HA ' HD21 ' A' ' 65' ' ' LEU . 13.3 mt -65.64 -22.01 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 10' ' ' ILE . 13.7 p30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.434 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 5.9 tt -133.59 107.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -105.98 137.1 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 89.3 m -76.82 84.33 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -75.17 -52.76 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HE1' ' A' ' 15' ' ' MET . 0.0 OUTLIER -130.88 -176.86 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.753 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.423 ' HE1' ' O ' ' A' ' 14' ' ' LYS . 8.3 mmt -113.24 131.94 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -78.52 -172.09 2.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.15 176.21 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 ttpm? -65.7 77.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.576 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 30.6 mt -69.59 140.59 89.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.527 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 14.8 Cg_endo -56.91 134.17 62.73 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.892 2.395 . . . . 0.0 112.236 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -22.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.88 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.485 ' CD1' ' HG2' ' A' ' 20' ' ' PRO . 10.0 mt -104.47 -24.81 12.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.13 142.92 47.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.579 ' CG2' ' CG ' ' A' ' 44' ' ' ARG . 10.5 pt -129.63 -36.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.372 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -154.58 146.72 23.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 22.4 p90 -128.73 152.77 48.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.67 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -142.57 167.18 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.033 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 170.5 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -111.17 147.87 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.54 141.61 42.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.18 24.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -106.87 19.86 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 m -104.63 -86.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.66 -123.38 1.21 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 34.9 mttt -70.37 145.7 50.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -72.87 84.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.675 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -127.64 -171.28 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 3.4 mm -112.11 158.31 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.456 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 16.1 mm -107.67 129.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.634 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 45.0 mt -118.18 123.61 45.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 37.3 tt0 -110.94 128.69 55.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.539 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 20.1 p -104.31 164.93 11.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.249 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.579 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 65.4 mtm180 -56.4 -16.6 6.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -104.43 34.72 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 48.75 51.48 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.583 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 12.0 ttm-85 -104.54 107.76 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.752 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD22 ' HG3' ' A' ' 42' ' ' GLU . 80.2 mt -105.64 111.64 24.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.583 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 17.8 m-85 -131.19 146.74 52.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.9 m -88.53 107.11 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . . . -107.25 112.36 25.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 0.4 OUTLIER -56.35 131.21 75.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 51.3 Cg_exo -53.82 -42.98 62.01 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.764 2.309 . . . . 0.0 112.229 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -23.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.78 128.76 36.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.515 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.04 -50.94 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.376 -179.583 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.634 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 2.5 p-90 -46.9 -23.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.232 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.511 ' CG2' ' HB3' ' A' ' 51' ' ' ALA . 73.1 t -88.76 -46.62 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.06 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 18.6 mttm -59.27 -43.36 92.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.381 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD2' ' OE1' ' A' ' 56' ' ' GLN . 1.7 m-20 -75.62 -48.76 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.469 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -52.86 -41.16 64.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.067 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.529 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.8 mtm -70.54 -55.19 9.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -44.69 -28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 109.935 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.51 -59.4 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.65 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 25' ' ' ILE . 39.2 mt -48.89 -39.55 26.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.981 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.887 0.375 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.449 HG21 ' O ' ' A' ' 10' ' ' ILE . 6.0 tt -135.06 118.56 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.17 136.75 44.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.1 m -90.5 70.7 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -69.39 -39.24 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.98 179.35 6.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.529 ' CE ' ' HB3' ' A' ' 38' ' ' ALA . 16.2 mmt -119.5 140.57 50.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.464 HG23 ' HB3' ' A' ' 49' ' ' PHE . 3.9 t -87.18 -169.2 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.88 -172.83 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -74.54 140.82 44.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.54 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 4.9 mt -138.75 142.09 32.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.323 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.54 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 52.9 Cg_exo -53.49 116.01 2.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 61' ' ' ALA . 4.3 p -54.57 -21.3 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.977 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.22 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.71 -5.17 21.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 41' ' ' LEU . 44.7 mt -85.23 141.77 29.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.525 ' CG2' ' CG ' ' A' ' 44' ' ' ARG . 18.4 pt -116.84 -29.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 25' ' ' ILE . 23.4 m-70 -159.36 158.18 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -132.52 134.79 45.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.688 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 170.34 10.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -112.76 145.91 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -79.94 161.68 25.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -102.3 133.85 46.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.39 82.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -178.99 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.11 131.61 52.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.74 -159.63 48.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.347 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.63 157.87 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -65.2 88.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB3' ' CE ' ' A' ' 15' ' ' MET . . . -128.23 -168.8 1.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.46 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.9 mm -119.29 151.45 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.409 ' CD1' HG22 ' A' ' 10' ' ' ILE . 18.2 mm -105.01 133.17 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.569 HD11 ' CH2' ' A' ' 57' ' ' TRP . 86.7 mt -124.35 128.73 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG3' HD22 ' A' ' 48' ' ' LEU . 53.2 tt0 -110.85 130.56 55.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.483 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 47' ' ' ARG . 74.0 p -104.79 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.367 . . . . 0.0 111.345 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 29.8 mtm180 -67.23 -7.95 27.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.799 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -104.22 20.88 17.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 53.89 37.33 26.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.597 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.589 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 2.6 ttm180 -104.54 118.48 36.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.239 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 9.9 mt -104.9 131.25 52.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.589 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 3.4 m-85 -134.83 151.02 50.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -99.63 99.92 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.459 ' HB3' ' OE1' ' A' ' 55' ' ' GLU . . . -105.72 123.5 48.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD2' ' HG3' ' A' ' 54' ' ' LYS . 2.5 t70 -61.42 136.39 94.27 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HG3' HG12 ' A' ' 39' ' ' ILE . 48.2 Cg_exo -55.56 -17.89 18.48 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.696 2.264 . . . . 0.0 112.17 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 52.3 mttt -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' OE1' ' HB3' ' A' ' 51' ' ' ALA . 26.7 mt-10 -69.05 132.79 47.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.53 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.182 -179.12 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CH2' HD11 ' A' ' 41' ' ' LEU . 4.2 p-90 -52.18 -18.85 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 57' ' ' TRP . 79.9 t -88.29 -32.16 5.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.945 0.402 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 54' ' ' LYS . 16.4 mttp -69.02 -54.35 15.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.077 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -68.19 -43.72 77.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.57 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -52.06 -44.66 64.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.982 0.42 . . . . 0.0 110.549 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.423 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 37.6 mtm -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -44.87 -27.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.084 0.469 . . . . 0.0 109.96 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.39 -63.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.9 mt -55.73 -17.74 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.841 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 62' ' ' MET . 35.4 m-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.799 0.333 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 6.3 tt -134.45 112.51 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.457 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 1.2 t -118.04 130.97 56.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' SG ' ' HB1' ' A' ' 38' ' ' ALA . 10.9 m -72.72 78.03 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -72.42 -21.78 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.795 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 -176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.78 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.2 mmt -102.24 161.88 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.991 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -110.58 -167.5 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.96 163.69 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -58.5 134.34 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.551 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 58.5 mt -130.17 146.25 60.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.551 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 16.1 Cg_exo -66.29 138.05 49.72 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.657 2.238 . . . . 0.0 112.19 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.32 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -16.64 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' CD2' ' HB2' ' A' ' 20' ' ' PRO . 1.5 mm? -104.51 -18.01 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 12.0 mt -74.44 128.83 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 44' ' ' ARG . 29.5 pt -122.72 -31.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.07 146.09 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' HB3' HD11 ' A' ' 65' ' ' LEU . 12.9 p90 -121.42 157.71 29.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.733 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -147.69 -156.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -150.37 149.8 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -69.35 153.75 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 45.2 mm-40 -78.02 152.37 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.29 -7.2 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 p -131.2 35.31 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 11' ' ' THR . 48.2 t -119.79 -71.38 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' HA3' ' OG1' ' A' ' 11' ' ' THR . . . -141.39 -116.7 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.765 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 78.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . -122.57 -174.48 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.445 HG21 ' O ' ' A' ' 28' ' ' GLN . 8.1 mm -108.56 146.97 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.455 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 5.9 mm -104.93 141.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 56.4 mt -124.21 130.33 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 56.1 tt0 -120.67 126.72 50.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.607 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.522 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 14.8 p -104.46 164.88 11.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.456 ' N ' HG22 ' A' ' 25' ' ' ILE . 1.9 ptt180 -62.02 -11.87 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -104.09 27.96 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.681 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 55.72 47.8 19.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.591 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 3.8 ttt85 -104.59 111.48 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 22.1 mt -111.08 116.94 31.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.591 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 11.8 m-85 -134.55 170.49 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.37 110.28 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.26 143.3 45.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 133.13 92.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.789 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.81 -14.12 20.94 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.841 2.36 . . . . 0.0 112.257 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.77 -34.5 39.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.3 mt-10 -47.86 134.97 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -57.54 -56.36 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.251 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 6.8 p-90 -54.47 -17.16 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.48 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 55' ' ' GLU . 54.3 t -88.23 -29.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.969 0.414 . . . . 0.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -72.85 -52.61 14.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.043 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.09 -43.81 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.262 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -53.39 -49.64 66.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 110.423 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.1 mtm -67.72 -57.37 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.534 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -44.78 -27.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -75.42 -48.71 21.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.382 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 27' ' ' TYR . 88.6 mt -60.43 -40.49 91.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.775 0.321 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 5.9 tt -134.18 111.56 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.423 ' O ' HG21 ' A' ' 11' ' ' THR . 6.7 t -107.04 118.99 38.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' SG ' ' ND2' ' A' ' 30' ' ' ASN . 85.7 m -78.76 73.24 5.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -48.9 28.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.67 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.24 -178.46 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.6 mmt -114.66 127.46 55.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -70.02 -170.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 19' ' ' ILE . 85.1 p -109.13 168.62 9.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 19' ' ' ILE . 9.1 tptp -42.76 144.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.485 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 22.2 mt -140.96 133.57 14.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -50.91 112.29 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 61' ' ' ALA . 5.8 p -53.19 -24.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.001 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.25 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.457 ' O ' ' HB ' ' A' ' 43' ' ' THR . 13.5 mt -104.56 -19.68 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD21 HG23 ' A' ' 43' ' ' THR . 33.3 mt -76.99 134.53 38.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.0 pt -122.69 -30.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.449 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.438 ' HB2' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -146.85 150.13 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 111.186 -179.754 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -131.93 131.83 43.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.7 174.02 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.037 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.09 145.16 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.729 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.456 ' ND2' ' SG ' ' A' ' 12' ' ' CYS . 27.5 t-20 -78.46 162.33 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -101.73 151.6 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.24 -0.56 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.73 -13.18 14.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.64 119.36 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 41.35 -146.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 146.88 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -65.1 86.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.56 -161.13 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.417 HG12 ' HG3' ' A' ' 53' ' ' PRO . 6.9 mm -110.45 148.21 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.274 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.3 mm -105.17 123.95 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.645 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -112.62 116.61 30.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 1.4 tt0 -111.7 128.22 56.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.77 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 14.2 p -104.29 164.43 11.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -16.24 2.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -104.0 35.07 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 48.8 50.99 16.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.591 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 9.0 ttm-85 -104.85 99.02 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -105.28 113.24 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.591 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.4 m-85 -130.47 145.21 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.1 m -87.47 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.99 142.8 40.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.78 132.23 55.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HG3' HG12 ' A' ' 39' ' ' ILE . 67.7 Cg_exo -50.96 -47.11 27.08 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.79 2.327 . . . . 0.0 112.366 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.36 -37.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.429 ' HB2' HG22 ' A' ' 58' ' ' VAL . 29.9 mt-10 -57.76 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.754 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.18 -50.6 73.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.37 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.645 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 11.4 p-90 -50.87 -20.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 110.964 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' A' ' 62' ' ' MET . 77.1 t -88.47 -44.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.76 -43.63 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.256 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -43.66 58.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.925 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -43.69 50.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 37.2 mtm -68.63 -51.36 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.535 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -44.79 -29.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.061 0.458 . . . . 0.0 109.959 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -75.43 -59.05 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.737 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 mt -48.6 -39.52 24.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.021 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.819 0.343 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.468 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 4.8 mm-40 -83.59 -48.18 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.468 ' CG ' ' C ' ' A' ' 1' ' ' GLN . 1.8 m-70 -157.83 -53.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -126.98 140.4 52.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.1 116.5 4.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 m -117.62 52.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 -163.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 170.9 101.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB3' ' OG1' ' A' ' 11' ' ' THR . 2.1 t 63.81 131.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.7 -43.89 57.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 6.1 tt -132.16 95.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.463 ' OG1' ' HB3' ' A' ' 8' ' ' CYS . 1.2 m -104.73 125.32 50.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.6 m -81.19 75.88 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.419 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -66.47 -35.24 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.417 . . . . 0.0 110.621 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 13' ' ' SER . 6.6 mmtp -145.4 -172.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.35 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 t -91.53 -171.62 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.23 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -63.93 137.68 58.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.45 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 12.7 mt -141.17 140.53 21.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 41.0 Cg_exo -55.61 122.32 11.52 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.768 2.312 . . . . 0.0 112.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 22' ' ' ALA . 9.9 p -56.87 -22.11 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' N ' HG11 ' A' ' 21' ' ' VAL . . . -69.69 -5.94 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.214 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.443 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -104.75 -13.72 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.9 mt -82.89 142.94 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.425 HG22 ' HB3' ' A' ' 44' ' ' ARG . 23.9 pt -123.16 -34.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -150.86 152.65 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.5 p90 -133.23 121.03 21.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -101.1 -169.12 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.1 140.93 50.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -62.99 139.62 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.22 137.76 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.38 -10.27 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -117.88 20.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.68 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.58 -79.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.91 -145.83 4.21 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.429 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -57.72 130.42 46.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.18 88.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.94 -152.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 4.1 mm -122.36 148.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.426 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.9 mm -104.91 122.85 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.628 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 82.3 mt -111.09 120.97 44.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.275 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 83.9 tt0 -112.81 125.12 54.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.436 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.527 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 20.6 p -104.6 164.08 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 111.165 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' NH2' ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -60.15 -13.07 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.998 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.431 ' OE1' ' NH2' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -104.47 30.63 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 54.38 48.35 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 10.3 ttm-85 -104.84 104.11 13.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 12.5 mt -107.02 96.99 6.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 27.9 m-85 -114.31 165.43 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 7.0 m -113.47 106.67 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.51 146.66 32.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -77.99 134.11 64.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.23 -27.64 31.01 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.781 2.321 . . . . 0.0 112.385 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.13 -39.67 94.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 13.7 mt-10 -48.54 128.27 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.83 -53.69 55.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.378 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.628 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 7.4 p-90 -50.54 -20.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.959 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' A' ' 62' ' ' MET . 75.4 t -88.31 -42.68 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.474 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 13.9 mttt -55.96 -54.91 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.854 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.54 -43.28 77.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.348 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -39.62 41.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 64.2 mtm -71.18 -58.27 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.698 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -49.29 -23.07 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.015 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.517 ' CD2' ' NE2' ' A' ' 68' ' ' GLN . 78.1 t60 -74.99 -61.96 1.71 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.915 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' HA ' ' HB2' ' A' ' 68' ' ' GLN . 7.7 mt -56.06 -18.13 8.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.27 -27.52 68.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.665 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.54 20.86 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.517 ' NE2' ' CD2' ' A' ' 64' ' ' HIS . 0.4 OUTLIER -113.47 -58.89 2.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.3 -53.05 11.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.15 -54.07 14.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 73' ' ' THR . . . -48.43 169.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 58.49 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 71' ' ' ALA . 2.8 t -113.07 113.56 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.93 47.69 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.93 64.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.783 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.569 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.46 ' O ' ' HG3' ' A' ' 1' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.923 0.392 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 0' ' ' MET . 0.3 OUTLIER 36.22 40.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.42 -63.39 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.73 56.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.9 167.52 16.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.442 ' O ' HG21 ' A' ' 5' ' ' VAL . 29.8 m -113.53 53.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.085 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.06 -162.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.953 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 176.96 45.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -136.46 88.42 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.617 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' CYS . 6.9 p30 -33.11 -45.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.368 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tt -129.34 139.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 11' ' ' THR . 10.0 t -126.67 129.42 48.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 96.2 m -77.0 80.94 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.451 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 11.9 t -73.08 -45.11 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 13' ' ' SER . 8.2 mmpt? -143.12 -172.88 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.784 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -108.75 162.26 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -110.95 -168.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.23 146.76 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.569 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 6.8 mt -148.8 142.67 16.37 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 37.4 Cg_exo -58.76 128.76 29.28 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.406 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.01 -20.72 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.49 -6.47 25.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -104.47 -16.63 15.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.661 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 41' ' ' LEU . 71.0 mt -81.28 139.4 35.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 44' ' ' ARG . 30.5 pt -122.73 -34.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.535 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.406 ' N ' HG13 ' A' ' 25' ' ' ILE . 2.3 m-70 -149.28 150.2 32.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 1.5 p90 -135.08 140.99 45.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.687 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -131.64 162.82 29.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.072 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 122.54 36.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -42.1 133.04 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' SER . 23.1 mt-30 -65.52 111.83 3.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 81.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' GLN . 25.2 p 176.3 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.03 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 145.48 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.71 -167.43 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.4 156.07 19.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 85.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -124.23 -157.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 40' ' ' ILE . 3.5 mm -124.02 148.91 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.194 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.464 ' N ' HG21 ' A' ' 39' ' ' ILE . 20.6 mm -104.68 118.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.634 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 14.3 mt -105.23 128.79 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.272 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.507 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 23.0 tt0 -120.57 131.8 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.576 ' CG2' ' CG ' ' A' ' 47' ' ' ARG . 47.7 p -105.04 171.9 7.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 111.406 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HB3' HG23 ' A' ' 25' ' ' ILE . 6.7 ptp180 -75.01 0.66 15.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.98 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 46' ' ' HIS . 6.1 mt-30 -104.23 -3.4 24.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 9.4 m-70 86.21 35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.529 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.576 ' CG ' ' CG2' ' A' ' 43' ' ' THR . 0.9 OUTLIER -104.88 142.42 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.608 179.441 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 7.6 mt -131.86 116.34 17.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE1' ' HD3' ' A' ' 47' ' ' ARG . 7.5 m-85 -133.59 129.67 37.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -76.52 105.55 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -107.2 130.04 54.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -75.96 137.42 69.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.18 -21.69 17.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -24.22 66.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 24.0 mt-10 -70.84 130.36 41.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.517 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -58.04 -54.98 40.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.634 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 7.3 p-90 -51.61 -19.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.509 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 99.8 t -88.39 -42.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 37.1 mttm -59.37 -49.55 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.402 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -72.29 -46.27 56.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -48.43 -39.63 23.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mtm -73.31 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.681 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 9.6 tt0 -45.0 -26.41 0.42 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -75.18 -51.14 14.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 mt -65.21 -23.49 67.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 51.2 m-20 -73.19 -52.18 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 63' ' ' GLN . 15.4 mmt180 -83.95 53.96 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -162.52 -80.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.8 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.45 -36.4 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.009 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 66' ' ' ASP . . . -74.23 -25.12 59.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -8.73 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.49 -78.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.4 t -129.51 130.93 46.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.66 44.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -120.15 94.64 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.896 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' ASN . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.437 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.51 ' HA ' ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.834 0.35 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 3' ' ' HIS . 0.8 OUTLIER 57.87 -157.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.68 95.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 1' ' ' GLN . 0.2 OUTLIER 173.34 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.34 99.95 2.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.548 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 0' ' ' MET . 99.0 t -114.09 105.16 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.718 0.294 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.7 -12.67 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.121 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptt 51.66 47.34 24.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.787 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' ILE . 29.9 p -132.58 81.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' CYS . 3.0 p30 -34.38 -34.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' CYS . 6.1 tt -134.98 117.11 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -110.18 122.97 48.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.84 63.46 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.03 -177.75 5.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.82 145.42 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -92.45 -175.13 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.46 ' O ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.84 175.94 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -54.03 148.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 17' ' ' SER . 18.4 mt -148.78 137.77 12.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 41.6 Cg_exo -55.56 132.03 49.7 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.823 2.349 . . . . 0.0 112.356 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG12 ' HB3' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -68.91 -22.75 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -12.15 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 22.0 mt -104.93 -20.15 13.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.93 136.38 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.464 HG22 ' CA ' ' A' ' 44' ' ' ARG . 23.1 pt -106.65 -41.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -161.25 164.05 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.023 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 5.1 p90 -130.57 147.12 52.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.526 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -120.62 -166.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.46 100.76 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' HB2' HD12 ' A' ' 40' ' ' ILE . 35.3 t30 -43.24 137.5 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -66.23 122.96 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 84.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 p -173.51 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.93 132.05 54.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.753 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -117.88 12.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -130.2 150.76 51.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 85.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.2 -166.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mm -107.84 152.61 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.526 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.0 mm -104.98 129.2 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.645 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 58.4 mt -118.39 117.4 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 46.1 tt0 -111.82 126.86 55.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.536 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 19.6 p -104.23 163.74 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.976 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.464 ' CA ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -58.02 -14.11 5.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -104.04 33.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.601 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 51.01 49.84 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.536 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 6.9 ttm180 -104.55 103.21 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 19.1 mt -107.48 105.01 14.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.522 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 35.4 m-85 -122.14 151.09 41.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.42 100.88 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.25 125.64 51.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 135.65 95.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.466 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 35.5 Cg_endo -64.43 -6.97 12.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.867 2.378 . . . . 0.0 112.434 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -14.55 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.33 132.28 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.6 -49.3 78.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.335 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.645 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 8.3 p-90 -50.65 -20.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.009 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -88.47 -43.33 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.794 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 49.6 mttt -66.95 -40.91 87.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.251 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CB ' HE22 ' A' ' 56' ' ' GLN . 1.3 m-20 -74.17 -42.94 59.11 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.029 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 57' ' ' TRP . . . -50.81 -46.64 59.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.501 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.4 mtm -67.07 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.524 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -45.01 -28.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.494 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 77.6 t60 -75.64 -52.09 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.476 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.52 -25.23 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -72.22 -5.09 33.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -112.72 26.22 10.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 0.7 OUTLIER -127.13 -69.91 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.057 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.13 -19.86 64.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 71' ' ' ALA . . . -46.48 -38.25 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' THR . . . -48.48 -176.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' N ' HD21 ' A' ' 72' ' ' LEU . 4.3 mm? 54.0 -83.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' ALA . 9.0 t -125.23 91.95 3.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' THR . 0.6 OUTLIER -36.36 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.53 80.01 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.525 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.9 mtp . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.893 0.378 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.429 ' O ' HG11 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -145.54 150.56 36.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' A' ' 3' ' ' HIS . 5.7 p-80 -73.31 140.52 46.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 2' ' ' HIS . 55.8 m80 65.38 42.62 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.93 87.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.584 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 5' ' ' VAL . 27.2 m -109.87 78.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 111.094 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 t -114.68 -1.8 13.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.6 91.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.723 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER 72.24 110.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -34.24 -34.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.005 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' CYS . 6.2 tt -135.09 129.21 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -125.22 171.08 10.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' SG ' ' ND2' ' A' ' 30' ' ' ASN . 77.3 m -109.21 33.72 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 21.1 t -59.22 88.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' SER . 13.1 tptt 85.7 150.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.764 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.0 mmt -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -75.78 -168.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -105.35 -173.49 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.01 143.02 49.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.6 mt -145.27 137.13 13.02 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 37.3 Cg_endo -67.0 124.5 12.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.262 . . . . 0.0 112.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 p -52.78 -24.45 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.66 -11.81 28.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -104.98 -19.1 13.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD22 HG23 ' A' ' 43' ' ' THR . 12.1 mt -73.05 126.93 31.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 44' ' ' ARG . 32.8 pt -106.71 -28.14 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 142.53 16.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 20.2 p90 -120.35 105.88 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.452 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -93.76 -175.46 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 138.63 53.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.787 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.422 ' ND2' ' SG ' ' A' ' 12' ' ' CYS . 28.1 t-20 -58.41 142.04 49.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.99 128.29 34.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 33' ' ' SER . . . -65.45 82.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 163.64 -24.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.2 m -108.96 146.9 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 35.95 -147.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.573 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 153.65 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.707 0.289 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 76.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.24 -167.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.0 mm -106.88 153.53 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.205 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.452 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 2.4 mm -104.85 127.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.626 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 7.6 mt -114.14 121.37 43.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 63.8 tt0 -116.01 126.53 53.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.699 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.533 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 24.3 p -104.64 166.26 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' N ' HG22 ' A' ' 25' ' ' ILE . 8.0 ptm180 -66.13 -8.52 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -104.18 22.42 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.781 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 62.8 46.42 5.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.62 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 4.8 ttm-85 -104.44 102.31 11.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 2.2 mt -109.86 109.11 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.62 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.2 m-85 -133.81 -179.83 5.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 2.4 m -117.56 116.12 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.81 159.09 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -90.6 126.32 56.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.57 -19.69 14.45 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 4.3 mmtp -79.35 -20.67 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -62.2 129.39 40.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -56.42 -57.36 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.234 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.626 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 20.7 p-90 -53.54 -19.16 3.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.522 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 71.2 t -88.27 -35.91 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 53.5 mttt -66.84 -51.7 52.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 110.046 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -69.03 -46.57 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.223 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -47.74 -47.26 30.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.0 110.349 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.9 mtm -70.54 -57.67 4.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.512 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.56 -26.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 109.899 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.42 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 6.7 t60 -74.52 -56.25 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.96 -35.26 74.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -73.76 -39.53 64.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.67 46.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.444 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -142.76 -65.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.74 -12.91 61.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.48 -51.17 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.37 -17.7 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.45 ' N ' HD21 ' A' ' 72' ' ' LEU . 4.5 mm? -92.81 -28.56 16.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 t -174.61 81.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -44.09 -68.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -120.41 113.02 19.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.973 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.509 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.766 0.317 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 51.19 44.45 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER 172.11 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' HIS . 0.8 OUTLIER -33.08 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.06 166.35 30.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 5' ' ' VAL . 6.8 p -109.31 53.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.75 133.87 53.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 171.25 43.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 8.1 p -63.04 151.37 40.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.954 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -34.74 -40.77 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.951 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 4.6 tt -132.2 90.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -104.9 135.12 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.77 59.1 4.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.99 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -75.13 -12.9 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.01 153.21 33.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 132.95 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 49' ' ' PHE . 3.5 t -73.54 -169.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.85 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -78.24 111.96 14.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.537 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 13.2 mt -111.93 138.65 21.73 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.537 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 19.4 Cg_endo -58.31 125.23 17.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.835 2.357 . . . . 0.0 112.255 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.78 -21.78 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.2 -16.59 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.72 -26.85 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -58.22 130.46 46.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.634 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 44' ' ' ARG . 8.8 pt -112.37 -36.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -151.25 155.35 38.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.008 0.432 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.488 ' CE1' ' OD1' ' A' ' 66' ' ' ASP . 4.4 p90 -135.15 139.96 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.64 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.85 172.01 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.87 0.367 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.6 tt0 -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' CB ' ' A' ' 34' ' ' CYS . 40.7 t-20 -36.92 129.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -49.17 152.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -75.39 54.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.9 p 159.43 42.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -116.16 -74.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.18 -128.32 2.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 178.06 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 64.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.57 -175.57 2.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 4.5 mm -114.82 161.94 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.527 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 11.0 mm -111.68 127.72 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.623 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 15.3 mt -117.47 131.85 56.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.525 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 29.9 tt0 -124.96 123.72 40.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.562 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 1.8 p -105.0 161.18 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.058 0.456 . . . . 0.0 111.553 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.527 ' N ' HG22 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -56.63 -13.79 2.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.669 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -103.92 33.11 3.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 52.59 47.77 23.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.5 100.52 10.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.709 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.525 ' CD2' ' HB2' ' A' ' 42' ' ' GLU . 15.2 mt -104.93 93.65 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 3.2 m-85 -123.25 153.04 40.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 56.1 m -91.94 129.99 37.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . . . -123.84 135.95 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.98 127.57 91.55 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HG3' HG12 ' A' ' 39' ' ' ILE . 51.6 Cg_exo -54.13 -22.42 25.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.782 2.321 . . . . 0.0 112.203 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.95 -10.83 59.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB2' HG22 ' A' ' 58' ' ' VAL . 40.0 mt-10 -76.39 133.24 39.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.25 -61.14 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.159 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.623 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 8.5 p-90 -51.53 -18.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.759 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 51' ' ' ALA . 57.5 t -87.86 -45.42 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.12 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 22.8 mttm -56.74 -52.34 65.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.011 0.434 . . . . 0.0 110.146 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.35 -47.42 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -44.97 -40.85 6.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.018 0.437 . . . . 0.0 110.301 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.0 mtm -69.61 -55.85 8.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -45.86 -26.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.025 0.441 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -75.85 -54.8 6.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.585 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 4.6 mt -60.44 -29.98 69.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.93 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' CE1' ' A' ' 27' ' ' TYR . 31.0 m-20 -69.49 -43.88 72.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -85.82 15.04 5.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.77 -59.7 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.52 -35.22 28.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.69 -41.61 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.27 -13.01 15.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 2.7 mm? -104.88 8.88 34.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.4 p 73.5 29.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER 39.72 -93.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' THR . 0.8 OUTLIER -135.13 14.46 3.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.882 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.451 ' OXT' ' HB ' ' A' ' 73' ' ' THR . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 63.75 125.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -44.7 -46.6 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -83.05 103.87 12.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.42 177.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.611 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 5' ' ' VAL . 12.3 p -125.99 104.2 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 0.0 111.171 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.09 -169.49 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.823 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.96 49.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB2' ' OG1' ' A' ' 11' ' ' THR . 1.2 m -100.3 114.83 28.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -36.09 -41.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 6.3 tt -133.96 95.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.375 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.4 m -104.95 103.89 13.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.412 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.6 m -68.72 82.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.336 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -75.41 -19.33 59.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.542 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 -178.53 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.584 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.75 152.49 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -91.91 -169.94 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.5 p -104.82 174.27 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.781 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -71.2 122.1 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.452 ' O ' ' CE3' ' A' ' 57' ' ' TRP . 16.6 mt -121.07 137.72 27.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -56.06 128.47 30.34 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.77 2.313 . . . . 0.0 112.421 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' HA ' HD13 ' A' ' 24' ' ' LEU . 8.9 p -64.93 -23.6 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -12.58 19.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -104.69 -21.87 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -73.47 142.87 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 44.2 pt -122.75 -26.75 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.453 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' HA ' HD11 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -161.09 147.19 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 39.7 p90 -119.57 124.94 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.524 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -103.87 -177.09 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.97 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.42 153.08 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 31' ' ' GLN . 8.1 t-20 -86.68 150.34 24.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.49 ' OE1' ' N ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -76.8 149.04 36.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.03 45.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.193 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.1 p -131.5 37.94 3.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 11' ' ' THR . 30.7 m -135.24 45.59 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.8 -138.52 13.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 128.29 34.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.318 . . . . 0.0 110.841 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 89.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ASN . . . -123.58 -162.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 13.9 mm -112.49 154.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.524 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 10.0 mm -105.03 142.9 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 29.3 mt -125.71 116.71 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 61.4 tt0 -112.73 124.02 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.569 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.534 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 20.3 p -104.95 164.63 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.381 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 13.7 ptp180 -60.04 -13.56 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.2 30.81 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 53.85 49.25 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' HG2' ' CD1' ' A' ' 49' ' ' PHE . 10.4 ttt-85 -104.74 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 43.9 mt -110.09 110.63 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.777 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 47' ' ' ARG . 21.5 m-85 -133.12 155.65 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.8 m -96.49 99.79 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.31 140.26 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.001 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.95 139.56 85.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.36 -11.56 30.81 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.864 2.376 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -18.67 56.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 62.3 mt-10 -67.43 129.79 41.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.538 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -56.74 -57.96 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.096 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 11.3 p-90 -50.57 -17.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.004 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.52 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 93.4 t -88.01 -38.08 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.416 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.487 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 44.9 mttt -64.41 -48.53 75.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.873 0.368 . . . . 0.0 110.201 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.504 ' OD2' ' NE2' ' A' ' 56' ' ' GLN . 91.0 m-20 -72.68 -44.67 61.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.217 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -47.98 -39.65 20.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.55 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 35.8 mtm -71.49 -61.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -44.75 -27.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.766 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.601 ' CD2' ' NE2' ' A' ' 68' ' ' GLN . 78.6 t60 -73.03 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.58 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 25' ' ' ILE . 25.0 mt -65.79 -29.32 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.05 -61.3 2.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.64 51.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.773 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.601 ' NE2' ' CD2' ' A' ' 64' ' ' HIS . 1.7 tt0 -151.03 -55.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.813 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.73 87.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.52 70.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.08 -12.98 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.25 -47.08 2.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.95 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 73' ' ' THR . 2.6 p -137.1 91.46 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -66.82 102.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -127.05 -59.64 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.528 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.826 0.346 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -80.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 17.7 p-80 -104.09 -42.27 5.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -36.8 -34.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.7 139.94 8.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.551 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.415 ' CG1' ' O ' ' A' ' 5' ' ' VAL . 7.4 p -115.88 86.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 8' ' ' CYS . 8.1 t -117.13 -20.98 9.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.81 46.83 6.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ASN . 5.3 m -120.19 84.29 2.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.753 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -32.16 -48.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.453 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 40' ' ' ILE . 6.0 tt -124.76 142.95 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.913 0.387 . . . . 0.0 111.539 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' HG21 ' A' ' 11' ' ' THR . 11.7 t -134.43 138.8 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.637 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.4 m -99.77 71.3 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -32.88 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 155.67 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.1 176.87 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -128.79 -179.24 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -105.8 -177.58 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HG3' ' CB ' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -58.48 150.19 23.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 40.6 mt -148.16 139.21 13.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 11.5 Cg_endo -54.49 124.47 16.19 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.954 2.436 . . . . 0.0 112.29 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -20.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -10.05 23.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -104.74 -20.03 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 85.9 mt -68.2 130.08 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.445 HG22 ' HB3' ' A' ' 44' ' ' ARG . 47.3 pt -120.84 -28.85 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.69 142.9 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 10.7 p90 -124.12 146.85 48.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.48 163.08 29.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -100.73 146.51 27.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -75.51 142.35 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.8 mm-40 -90.58 131.1 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -59.72 80.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.77 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.91 119.52 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.29 43.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.7 170.36 9.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.802 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 86.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -127.77 -157.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 4.8 mm -131.62 153.36 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 10' ' ' ILE . 8.4 mm -108.8 131.78 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.621 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 36.8 mt -117.11 121.56 41.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 36.5 tt0 -110.7 126.03 54.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.533 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 14.4 p -104.34 163.62 12.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.962 0.411 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HB3' HG22 ' A' ' 25' ' ' ILE . 1.8 ptt180 -55.42 -16.06 3.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.93 35.46 2.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 49.09 49.91 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.588 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -104.65 102.96 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 77.9 mt -107.57 102.81 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 7.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.94 98.19 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 128.59 53.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 137.29 97.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 41.2 Cg_endo -67.12 -4.49 11.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.785 2.323 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -23.67 39.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.017 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.51 135.17 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -61.08 -47.48 86.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.44 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.621 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 10.9 p-90 -50.88 -20.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.053 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.5 t -88.77 -37.52 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HE3' ' O ' ' A' ' 53' ' ' PRO . 2.3 mttt -68.76 -43.22 76.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' OD2' ' NE2' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -75.04 -42.55 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.198 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -53.36 -44.58 68.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.698 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 27.1 mtm -71.12 -53.13 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.697 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -30.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.67 -56.04 5.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.778 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 24' ' ' LEU . 84.4 mt -57.34 -27.03 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -71.7 -55.18 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -36.62 -64.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -46.36 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 72' ' ' LEU . . . -46.99 -46.57 21.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.11 -33.38 57.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.92 -15.82 10.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' CG2' ' A' ' 73' ' ' THR . 1.1 mm? -86.31 -27.16 24.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.477 ' CG2' ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER 179.24 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 179.54 123.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -126.3 12.79 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.556 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tmm? . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.854 0.359 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 39.13 49.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 92.2 m-70 44.01 66.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 2' ' ' HIS . 4.1 m-70 179.21 86.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.82 -168.83 54.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 5' ' ' VAL . 5.5 p -124.49 50.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.066 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -132.84 173.12 11.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 175.36 47.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 9' ' ' ASN . 2.5 m -95.75 105.56 17.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -35.79 -41.49 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 48' ' ' LEU . 5.6 tt -135.04 121.86 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.233 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.06 134.99 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.651 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.0 m -91.5 55.39 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -75.21 -33.62 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.53 155.3 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.3 mmt -102.51 160.8 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.52 ' OG1' ' CE1' ' A' ' 49' ' ' PHE . 1.6 t -107.34 -168.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 16' ' ' THR . 0.3 OUTLIER -104.78 -177.55 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -72.63 137.14 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.636 ' CD1' ' CE2' ' A' ' 49' ' ' PHE . 8.8 mt -134.57 139.52 32.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.534 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 9.5 Cg_endo -51.53 131.79 38.18 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.844 2.363 . . . . 0.0 112.036 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -61.36 -23.13 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.78 -4.28 23.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HG ' ' HG2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -104.79 -3.9 22.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.093 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.5 mt -97.73 133.33 42.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.445 HG22 ' HG2' ' A' ' 44' ' ' ARG . 13.6 pt -105.1 -29.94 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -160.2 162.08 33.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -132.39 146.21 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.2 162.57 36.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 145.7 27.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.96 168.0 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.411 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 18.3 mt-30 -100.84 155.15 18.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -4.05 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -100.38 14.79 29.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 31' ' ' GLN . 4.0 m -125.43 -157.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 -161.96 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 158.87 0.4 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -74.52 73.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.04 -172.9 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mm -111.29 148.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.088 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mm -105.85 119.21 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.583 HD11 ' CH2' ' A' ' 57' ' ' TRP . 64.3 mt -104.98 130.21 53.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.996 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -104.48 127.38 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.502 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 64.6 p -104.44 168.54 9.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HG2' HG22 ' A' ' 25' ' ' ILE . 11.5 mtm180 -59.43 -17.29 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -104.67 32.53 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 48.67 49.78 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.638 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -107.37 126.53 52.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 9.5 mt -107.64 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 47' ' ' ARG . 7.3 m-85 -111.71 129.87 55.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.97 82.14 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.51 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.56 ' CB ' ' CG2' ' A' ' 58' ' ' VAL . . . -104.95 123.3 47.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.239 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.5 138.8 75.68 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG3' HG12 ' A' ' 39' ' ' ILE . 71.2 Cg_exo -47.9 -20.52 2.05 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.768 2.312 . . . . 0.0 112.573 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -70.56 -49.08 51.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.967 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' OE2' ' HA ' ' A' ' 51' ' ' ALA . 41.6 mt-10 -38.3 129.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.543 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.43 -56.74 18.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.527 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.583 ' CH2' HD11 ' A' ' 41' ' ' LEU . 5.0 p-90 -50.08 -18.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.56 ' CG2' ' CB ' ' A' ' 51' ' ' ALA . 68.0 t -88.09 -41.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -66.34 -48.08 71.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.423 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.5 -43.86 68.81 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.222 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -49.32 -44.84 44.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtp -68.35 -49.58 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.84 -33.06 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.417 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 80.3 t60 -75.82 -49.78 17.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.554 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.64 -32.59 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -72.0 -32.54 67.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' ALA . 10.8 mtt-85 -66.12 -38.19 87.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.765 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -69.66 -20.8 63.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.28 -15.95 62.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 71' ' ' ALA . . . -132.76 -45.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ARG . . . -36.28 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.21 -68.75 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -97.09 158.1 15.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -103.29 11.49 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -123.01 -66.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.428 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.825 0.345 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 1' ' ' GLN . 13.2 tt0 48.9 31.15 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.3 m170 46.94 32.98 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -159.03 69.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.2 39.26 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.602 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.425 HG11 ' O ' ' A' ' 5' ' ' VAL . 4.1 p -104.7 117.8 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.61 160.41 20.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.73 47.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 33' ' ' SER . 0.8 OUTLIER 170.11 107.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 10' ' ' ILE . 2.6 p30 -35.56 -50.68 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.102 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.442 ' N ' ' CG ' ' A' ' 9' ' ' ASN . 5.5 tt -135.14 129.18 50.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.396 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 t -122.62 110.11 15.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 5.0 m -69.78 63.28 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -70.51 -48.9 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.57 164.65 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.426 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -88.26 156.68 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.078 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 t -104.55 -172.87 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 19' ' ' ILE . 3.6 m -104.81 161.65 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HG2' ' CB ' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -50.04 135.74 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.48 HG21 ' HD2' ' A' ' 20' ' ' PRO . 14.7 mt -131.83 130.24 22.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HD2' HG21 ' A' ' 19' ' ' ILE . 73.7 Cg_exo -47.52 121.62 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.733 2.289 . . . . 0.0 112.366 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 61' ' ' ALA . 9.1 p -59.33 -24.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -7.5 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HA ' ' CD ' ' A' ' 44' ' ' ARG . 11.6 mt -104.52 -18.65 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD22 HG23 ' A' ' 43' ' ' THR . 90.3 mt -78.26 126.56 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.519 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 3.2 pt -111.61 -30.02 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -147.32 141.39 26.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.957 0.408 . . . . 0.0 111.308 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 12.0 p90 -122.3 116.4 24.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -109.18 -172.97 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.235 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.9 140.91 52.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.651 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -62.95 155.99 25.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -93.15 143.26 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.63 60.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 177.78 36.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -134.98 -89.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.89 -116.47 2.4 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 7.7 mmtm -98.72 141.45 31.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 1.3 ptt85 -61.32 90.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.83 -163.25 1.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.318 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 HG21 ' O ' ' A' ' 28' ' ' GLN . 8.5 mm -113.97 153.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.454 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 4.8 mm -104.8 125.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.623 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 7.9 mt -113.32 115.79 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 25.1 tt0 -106.75 129.33 54.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.528 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 23.4 p -104.58 166.9 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.519 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -63.34 -10.78 18.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -104.78 21.57 16.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 63.1 45.9 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.528 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 2.4 ttt85 -104.91 108.03 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.464 HD23 ' HG3' ' A' ' 42' ' ' GLU . 0.6 OUTLIER -110.29 107.01 16.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.499 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 33.0 m-85 -123.83 147.17 47.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.4 m -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.84 143.72 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -84.44 125.2 72.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 76.8 Cg_exo -49.57 -20.82 4.57 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.666 2.244 . . . . 0.0 112.25 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -62.39 -33.08 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 23.8 mt-10 -71.22 134.23 46.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.19 -51.68 68.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.623 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 7.2 p-90 -48.83 -21.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 111.111 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.429 HG22 ' HB2' ' A' ' 55' ' ' GLU . 83.9 t -88.36 -44.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.05 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 10.8 mttt -65.17 -41.55 94.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.402 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.06 -45.03 44.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.06 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -51.39 -48.83 62.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.605 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 mtp -66.53 -53.39 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.48 -28.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 109.855 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -75.41 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.63 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.86 -21.13 56.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.18 -29.45 57.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -104.14 9.44 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.433 ' HG2' ' CG ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -125.01 -40.47 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.806 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.88 -24.19 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.206 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.61 44.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 72' ' ' LEU . . . -85.27 15.65 4.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.249 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER 72.38 -81.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 5.0 t -76.53 -45.21 31.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 73' ' ' THR . 0.7 OUTLIER 161.47 -83.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.21 109.79 20.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.502 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.801 0.334 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -119.37 -28.53 5.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 4' ' ' GLY . 12.4 t60 -140.8 172.21 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.8 m80 41.39 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 2' ' ' HIS . . . -171.18 167.85 40.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.405 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.5 140.58 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.051 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -106.62 -9.41 16.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 4.0 tttt 55.43 90.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.561 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 49.6 t 70.61 107.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.493 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 p30 -30.75 -42.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.327 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 HG21 ' O ' ' A' ' 10' ' ' ILE . 6.1 tt -135.29 117.53 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -115.11 134.09 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.39 66.15 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -30.57 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -179.26 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.448 ' HE3' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -112.4 128.72 56.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -70.01 -171.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 m -106.57 -176.97 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' C ' HG13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -61.82 152.96 30.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.575 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 84.9 mt -150.08 142.77 15.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 9.8 Cg_endo -50.64 130.23 29.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.09 2.527 . . . . 0.0 112.598 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.587 HG23 ' CG ' ' A' ' 64' ' ' HIS . 5.3 p -67.8 -37.88 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.82 3.6 9.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.549 ' CD2' ' HG2' ' A' ' 20' ' ' PRO . 2.0 mp -103.98 -10.15 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.657 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.85 141.13 29.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.643 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 26' ' ' HIS . 45.7 pt -119.32 -37.27 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.656 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.511 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -141.94 144.92 33.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.992 0.425 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -135.19 130.74 35.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.516 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.94 173.99 10.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HG3' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -96.51 136.83 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -72.53 -172.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -100.11 139.98 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.48 -4.45 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -105.91 15.17 27.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -134.69 113.19 11.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.13 -142.29 23.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 152.17 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -68.19 86.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.1 -160.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 3.4 mm -117.29 153.88 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.4 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 19.9 mm -105.32 113.31 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 21.1 mt -106.01 124.82 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 39.9 tt0 -112.3 130.48 55.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.524 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 24.1 p -104.55 165.67 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.23 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 9.7 ptp180 -63.37 -11.66 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -104.6 25.87 9.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 58.19 47.39 14.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.787 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.563 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 1.4 ttm180 -104.72 107.89 19.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.5 mt -108.15 103.88 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.563 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 36.2 m-85 -126.28 141.98 51.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 18.4 m -84.06 105.66 15.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.495 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . . . -108.17 120.63 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' HE3' ' A' ' 15' ' ' MET . 0.1 OUTLIER -62.84 135.96 96.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 36.1 Cg_exo -57.19 -25.54 64.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.795 2.33 . . . . 0.0 112.382 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 18.1 mmtp -66.6 -28.05 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.47 129.38 39.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.538 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.05 -61.44 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.291 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 7.8 p-90 -44.82 -23.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.506 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 51' ' ' ALA . 61.6 t -87.79 -47.83 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.692 0.282 . . . . 0.0 111.023 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 63.7 mttt -52.31 -55.04 24.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 109.978 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.78 -44.06 82.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.228 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -50.43 -47.25 56.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mtm -68.56 -54.21 18.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.672 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -51.98 -22.05 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.097 0.475 . . . . 0.0 109.737 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.625 ' CG ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -73.78 -64.62 0.96 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.403 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.625 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 10.0 mt -48.08 -57.67 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -44.78 -28.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -25.87 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -95.27 -57.96 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . -64.44 -10.78 27.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 66' ' ' ASP . . . -41.49 -43.76 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.26 -18.34 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.245 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 69' ' ' ALA . 3.3 mm? -113.04 -34.75 5.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -133.99 80.25 1.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -48.24 -84.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -127.61 106.9 9.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.517 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.898 0.38 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.18 -154.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -45.61 125.97 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.8 m80 40.57 83.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.23 -115.43 0.46 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.526 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.2 t -120.92 104.54 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.746 0.308 . . . . 0.0 111.165 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -111.27 -170.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.007 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 7.4 tttt 176.45 105.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.7 t 84.12 120.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.2 p30 -35.28 -45.43 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 tt -135.08 124.89 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' OG ' ' A' ' 13' ' ' SER . 8.9 t -111.31 119.61 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 60.7 m -67.13 64.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.434 ' OG ' HG22 ' A' ' 11' ' ' THR . 27.1 m -75.13 -13.65 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.03 -170.29 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.814 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.407 ' CE ' ' OD1' ' A' ' 52' ' ' ASP . 13.2 mmt -130.78 136.26 48.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 t -81.06 -175.09 5.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -104.85 165.25 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.17 111.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.434 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.1 mt -108.74 141.21 22.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.434 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 46.1 Cg_exo -54.96 124.77 17.11 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.776 2.318 . . . . 0.0 112.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 61' ' ' ALA . 9.9 p -60.79 -24.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.89 -6.72 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 78.0 mt -104.9 -17.36 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.758 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' A' ' 24' ' ' LEU . 42.1 mt -78.94 138.96 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 46.2 pt -116.09 -30.91 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.85 150.82 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' C ' ' CG ' ' A' ' 28' ' ' GLN . 54.2 p90 -112.51 -173.19 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.469 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 17.2 mt-30 -157.07 162.58 39.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.64 102.26 11.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 34' ' ' CYS . 7.6 t30 -57.55 138.05 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.66 164.52 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.89 -1.94 24.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.298 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -107.3 13.65 26.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.433 ' HB2' ' ND2' ' A' ' 30' ' ' ASN . 3.2 m -122.1 112.01 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.57 -119.75 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.38 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 149.19 27.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.737 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 87.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -123.2 -160.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.1 mm -121.7 150.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 3.7 mm -105.01 131.77 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.638 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 5.1 mt -113.75 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.524 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 18.7 tt0 -110.78 128.93 55.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.67 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.513 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 19.2 p -104.78 167.11 9.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.972 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 11.7 ptp180 -68.18 -7.01 26.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 1.4 tt0 -105.02 18.05 23.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 33.5 m-70 66.66 44.41 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 1.3 ttm-85 -105.11 110.94 23.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 1.6 mt -112.48 113.23 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 38.4 m-85 -132.34 160.82 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 m -103.63 110.53 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.97 139.66 44.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -67.87 129.29 93.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 19.7 Cg_endo -60.74 -12.55 22.15 Favored 'Trans proline' 0 C--N 1.34 0.093 0 C-N-CA 122.786 2.324 . . . . 0.0 112.335 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -33.4 53.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 5.8 mt-10 -61.44 132.35 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.526 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.49 -50.6 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.638 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 6.5 p-90 -47.07 -22.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.049 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 57' ' ' TRP . 40.8 t -88.53 -51.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.327 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 79.6 mttt -55.15 -43.6 74.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.27 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -43.07 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.05 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -53.27 -36.24 60.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 62.5 mtm -74.23 -60.34 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.487 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -44.85 -27.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.405 ' CD2' HE22 ' A' ' 68' ' ' GLN . 81.3 t60 -75.53 -59.18 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.896 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.518 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 18.3 mt -53.71 -25.04 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.94 -28.61 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -93.07 22.5 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' NE2' ' HA ' ' A' ' 65' ' ' LEU . 5.0 mt-30 -129.61 -62.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.47 -12.66 46.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.3 -4.87 24.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.46 26.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.986 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.26 -79.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -56.43 -91.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' N ' ' OG1' ' A' ' 73' ' ' THR . 1.0 OUTLIER 174.76 125.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -118.02 18.82 13.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.515 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 6' ' ' THR . 2.1 tmm? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.776 0.322 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -157.9 23.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -102.35 -71.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 175.39 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.71 -3.27 61.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.413 ' O ' ' SD ' ' A' ' 0' ' ' MET . 0.0 OUTLIER -109.01 107.28 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -120.98 6.48 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 6' ' ' THR . 1.1 tptm 86.1 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.987 0.423 . . . . 0.0 110.799 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -151.62 103.26 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.841 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -35.06 -41.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.134 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.424 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 5.4 tt -134.85 123.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.26 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 t -113.64 151.31 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.5 m -105.28 72.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -36.54 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -141.75 -179.65 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmt -107.47 163.37 13.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -111.82 -166.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -104.79 -173.23 2.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG3' ' HB3' ' A' ' 57' ' ' TRP . 6.9 tttt -71.94 144.13 49.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.529 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 69.4 mt -139.44 140.36 25.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.529 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 13.8 Cg_endo -56.82 119.08 6.07 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.834 2.356 . . . . 0.0 112.3 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 24' ' ' LEU . 8.0 p -58.88 -20.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.48 -9.91 21.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' CD1' ' HG2' ' A' ' 20' ' ' PRO . 4.0 mt -105.06 -20.43 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 81.4 mt -67.77 133.11 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.582 ' CG2' ' CG ' ' A' ' 44' ' ' ARG . 17.6 pt -116.58 -35.18 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.97 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.506 ' N ' HG13 ' A' ' 25' ' ' ILE . 2.4 m-70 -166.67 148.91 6.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -117.16 143.51 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.8 169.11 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -112.21 106.6 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.26 152.96 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 3.7 mm-40 -83.43 141.78 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.85 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -83.43 -9.79 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.6 m -111.18 135.63 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.55 -139.2 0.36 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.66 162.41 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -67.53 86.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.21 -166.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 mm -125.55 151.69 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 mm -104.75 141.1 20.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.548 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 87.1 mt -127.23 118.48 24.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.127 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 21.2 tt0 -106.06 131.23 53.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.488 ' OG1' ' HB3' ' A' ' 47' ' ' ARG . 30.9 p -104.33 168.47 9.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.872 0.368 . . . . 0.0 111.377 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.582 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 39.6 mtp180 -60.5 -13.72 15.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.42 20.44 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 61.38 49.15 5.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.78 108.78 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' A' ' 42' ' ' GLU . 82.3 mt -105.69 117.23 33.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 13.5 m-85 -127.17 162.81 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.28 95.87 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 58' ' ' VAL . . . -105.55 138.12 42.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.63 138.45 85.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.7 -20.35 57.98 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.826 2.35 . . . . 0.0 112.289 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -73.15 -28.92 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 44.9 mt-10 -56.24 132.13 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -57.43 -57.16 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.548 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 9.0 p-90 -53.19 -17.64 1.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 86.7 t -88.48 -35.85 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -67.76 -48.39 66.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -72.92 -44.94 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -50.58 -43.84 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.9 mtm -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -48.06 -24.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 109.916 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -75.52 -48.29 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.97 -29.19 70.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.56 -27.12 62.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -38.04 57.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.45 -56.27 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.59 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.74 -40.89 80.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.53 -13.4 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' C ' ' CG2' ' A' ' 73' ' ' THR . 0.4 OUTLIER -125.54 27.34 6.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.467 ' CG2' ' C ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER 66.27 147.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -97.2 -25.91 15.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -128.44 -39.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.516 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.8 23.56 12.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.88 26.19 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.6 m170 55.57 19.81 3.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.54 142.95 11.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.2 104.79 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 33.6 p -127.99 -91.61 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 6' ' ' THR . 40.4 tttp 85.55 44.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' ASN . 5.7 t -149.12 101.19 3.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.726 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.1 p-10 -35.1 -39.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.003 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 5.0 tt -134.91 120.89 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.29 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.46 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 9.9 t -105.33 117.56 34.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.31 61.9 2.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -24.04 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -153.76 160.0 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.761 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.2 mmt -91.89 158.96 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -105.94 -167.98 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.9 m -104.7 168.59 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' C ' HG13 ' A' ' 19' ' ' ILE . 10.3 tttt -50.8 159.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.472 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 36.4 mt -157.2 138.56 9.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD2' HG21 ' A' ' 19' ' ' ILE . 31.9 Cg_exo -60.42 123.66 13.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.793 2.329 . . . . 0.0 112.289 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.05 -22.37 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.14 -10.19 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.178 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -104.48 -21.31 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.519 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 23.2 mt -75.2 133.74 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 17.3 pt -121.83 -29.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.22 150.93 20.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.211 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 2.1 p90 -134.91 147.65 49.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -133.28 179.15 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.086 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -110.31 141.52 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.86 172.16 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' SER . 59.0 mt-30 -113.99 132.11 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -60.15 82.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.03 -30.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -105.4 139.99 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.68 -114.69 0.97 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.644 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 166.3 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 89.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.738 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.65 -162.0 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.513 ' CG1' ' HG3' ' A' ' 53' ' ' PRO . 3.2 mm -122.63 153.4 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 10' ' ' ILE . 5.4 mm -104.7 126.24 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.916 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.573 HD11 ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -116.14 127.9 55.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.439 . . . . 0.0 111.159 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HG3' HD22 ' A' ' 48' ' ' LEU . 77.2 tt0 -119.57 128.2 53.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.592 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.529 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 21.1 p -104.71 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 22.0 ptt180 -68.27 -6.6 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -104.59 19.06 21.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 70.3 m-70 65.44 44.99 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.591 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 7.0 ttt-85 -104.9 106.2 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.45 HD22 ' HG3' ' A' ' 42' ' ' GLU . 30.5 mt -111.79 112.39 24.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.591 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 22.0 m-85 -135.07 167.69 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.011 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -107.19 117.69 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -119.3 137.08 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.068 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -74.42 129.55 83.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.513 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 53.4 Cg_exo -52.03 -20.17 9.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -71.59 -21.06 61.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' HB2' HG22 ' A' ' 58' ' ' VAL . 43.9 mt-10 -69.29 131.02 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.3 OUTLIER -56.99 -55.23 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.498 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.573 ' CH2' HD11 ' A' ' 41' ' ' LEU . 13.7 p-90 -53.93 -16.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.6 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 55' ' ' GLU . 49.1 t -88.06 -37.35 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -66.35 -50.31 63.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.136 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.75 -42.57 70.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -51.64 -41.65 61.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.757 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.8 mtm -73.79 -63.68 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -26.16 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 109.953 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -75.17 -56.97 4.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -45.39 -37.97 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.95 -55.69 6.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.436 ' C ' ' HB1' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -92.35 59.72 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.11 -69.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.79 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.416 ' O ' ' OG1' ' A' ' 73' ' ' THR . . . -51.26 -39.74 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.03 -26.82 15.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' C ' ' A' ' 67' ' ' ARG . . . -58.23 -15.04 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.79 -26.16 5.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.08 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 p -134.75 83.62 2.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.956 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.03 94.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.0 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' THR . 7.2 t30 -133.52 98.7 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.465 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.828 0.347 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 2' ' ' HIS . 7.1 mm-40 -107.13 -51.06 2.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 1' ' ' GLN . 35.9 t60 170.81 -50.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -88.07 104.02 16.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.45 -172.55 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 p -105.98 115.52 47.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.796 0.331 . . . . 0.0 111.014 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -105.01 174.42 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 6' ' ' THR . 1.2 ttpm? 177.37 43.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.175 0.512 . . . . 0.0 110.292 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -105.42 133.26 50.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.2 p30 -34.06 -51.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 5.8 tt -131.85 117.16 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.022 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 11' ' ' THR . 7.8 t -104.78 98.19 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.02 76.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.81 -50.57 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -119.13 -175.62 2.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.9 mmt -118.53 131.74 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -72.34 -170.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -105.17 165.88 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -57.43 134.08 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.983 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.584 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 3.0 mt -132.48 142.17 43.9 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 39.0 Cg_exo -56.21 137.12 78.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' CG1' ' HA ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -68.99 -23.21 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.27 -8.67 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 15.5 mt -104.65 -18.74 14.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.811 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 61' ' ' ALA . 21.4 mt -78.3 149.36 33.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.534 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 23.8 pt -125.45 -36.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.404 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.489 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -150.71 159.92 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 111.277 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 17.8 p90 -132.63 145.25 50.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.633 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -145.22 163.28 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.17 159.56 14.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.19 161.06 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 33' ' ' SER . 51.6 mt-30 -86.65 121.37 29.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -57.09 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 163.31 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -105.06 130.75 53.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.89 -159.17 0.11 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 158.76 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 87.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.32 -164.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.043 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.434 HG21 ' O ' ' A' ' 28' ' ' GLN . 9.8 mm -126.71 153.72 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mm -108.66 121.13 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.578 HD11 ' CZ3' ' A' ' 57' ' ' TRP . 12.5 mt -106.27 125.5 51.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 31.6 tt0 -104.71 128.8 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.529 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 14.2 p -104.5 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.985 0.421 . . . . 0.0 111.161 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.534 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.6 mtm180 -63.92 -12.9 41.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -104.79 18.7 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 61.42 46.25 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.627 ' NE ' ' CZ ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.54 126.91 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.714 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 51.9 mt -108.24 111.42 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CZ ' ' NE ' ' A' ' 47' ' ' ARG . 4.8 m-85 -107.7 134.81 50.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -91.59 86.36 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.277 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.529 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . . . -104.58 131.84 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.414 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.86 142.23 97.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.18 -19.51 16.6 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.768 2.312 . . . . 0.0 112.28 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -80.22 -10.56 59.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.512 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 16.2 mt-10 -71.91 131.28 42.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.507 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -56.6 -58.4 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.283 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.578 ' CZ3' HD11 ' A' ' 41' ' ' LEU . 3.5 p-90 -53.99 -16.67 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.475 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.529 ' CG2' ' HB2' ' A' ' 51' ' ' ALA . 74.4 t -88.14 -42.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.706 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -61.03 -51.82 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.279 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.18 -45.64 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.597 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -48.39 -37.09 16.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.559 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 13.1 mtm -75.13 -62.11 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.839 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -27.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.116 0.484 . . . . 0.0 109.938 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.46 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 81.8 t60 -75.67 -58.77 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.872 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.488 HD12 ' CA ' ' A' ' 26' ' ' HIS . 16.0 mt -55.0 -37.48 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -58.64 -22.3 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.813 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.11 -14.87 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 0.8 OUTLIER -87.3 -14.64 40.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.28 -51.62 14.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.23 -24.91 63.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.06 -11.28 18.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.245 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -70.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.33 17.26 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.01 28.37 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -134.17 86.93 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.512 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.453 ' HA ' ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.799 0.333 . . . . 0.0 111.149 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.47 8.54 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -152.63 154.99 36.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.794 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -69.2 95.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.7 24.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.875 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 0' ' ' MET . 6.8 t -116.33 80.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.779 0.324 . . . . 0.0 111.291 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.46 -5.92 5.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.305 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 46.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.38 . . . . 0.0 110.79 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 10' ' ' ILE . 4.7 t -160.84 96.94 1.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -33.38 -34.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.0 tt -135.18 119.29 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -122.94 152.83 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 72.2 m -98.7 63.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.42 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.77 -24.99 58.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 13' ' ' SER . 4.5 tptp -147.69 -172.04 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mmt -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -89.08 -169.4 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.9 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -66.16 123.11 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.416 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 28.8 mt -123.26 136.71 27.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB2' HD21 ' A' ' 23' ' ' LEU . 35.3 Cg_exo -58.63 138.64 86.86 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.808 2.339 . . . . 0.0 112.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -68.69 -25.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 179.697 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 -9.24 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -104.75 -19.97 13.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 43' ' ' THR . 19.7 mt -81.97 129.36 34.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.786 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.502 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 22.1 pt -113.58 -27.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.06 152.0 30.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.269 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 26.3 p90 -133.5 111.42 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.49 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.438 ' HG3' HG23 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -97.46 -167.38 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.506 ' CA ' HG12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -132.17 125.46 31.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 40' ' ' ILE . 8.7 t30 -62.38 129.69 41.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -50.55 133.2 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -11.96 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.21 18.53 12.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 31' ' ' GLN . 2.7 m -129.25 -153.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -48.19 -179.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.425 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -45.23 142.38 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -63.64 89.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.42 -156.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 9.3 mm -119.93 152.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.506 HG12 ' CA ' ' A' ' 29' ' ' GLN . 12.3 mm -105.12 129.73 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 6.9 mt -122.91 117.5 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 22.0 tt0 -109.75 124.86 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.528 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 5.5 p -104.46 162.46 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 111.462 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 6.8 mtp85 -50.07 -19.29 0.7 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.548 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -103.58 40.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 42.91 51.26 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.611 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 6.1 ttm-85 -104.44 102.39 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 21.5 mt -106.63 111.03 23.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.593 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 13.3 m-85 -128.46 162.49 27.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -101.72 105.26 16.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -106.76 132.83 52.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -68.98 131.99 90.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HG3' HG12 ' A' ' 39' ' ' ILE . 50.4 Cg_exo -53.57 -19.63 14.34 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.773 2.316 . . . . 0.0 112.245 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -74.2 -37.93 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 15.6 mt-10 -48.77 119.7 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -49.65 -55.85 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.357 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.525 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 20.1 p-90 -51.25 -19.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.451 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 78.9 t -88.36 -39.74 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -61.89 -48.56 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.399 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -73.84 -46.3 45.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.539 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -51.26 -43.04 61.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.967 0.413 . . . . 0.0 110.689 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -68.3 -56.66 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.78 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.46 -28.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 109.879 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -75.55 -50.89 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.618 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.49 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 13.9 mt -64.71 -24.61 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -63.18 1.25 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -46.23 -38.41 8.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.761 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 65' ' ' LEU . 2.4 mt-30 -52.46 -62.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.01 -59.65 5.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.08 -31.42 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 67' ' ' ARG . . . -62.34 -12.22 19.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.186 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -112.89 -70.26 0.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -143.04 155.69 44.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -99.64 29.4 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -127.44 44.02 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.515 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' GLY . 3.8 tmm? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.815 0.34 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -90.38 104.08 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -173.24 -76.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.01 -6.23 16.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 0' ' ' MET . . . 156.43 -125.51 1.63 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.477 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.54 107.97 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.339 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.5 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.44 5.01 21.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.061 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 40.35 89.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.613 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER 72.52 99.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.988 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.9 p30 -33.65 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.6 tt -132.61 93.05 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -105.35 115.14 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.595 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.4 m -73.94 54.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 t -75.49 -16.65 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.752 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -147.94 124.64 11.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 171.37 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -120.09 -172.32 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -113.7 155.53 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.405 HG13 ' CH2' ' A' ' 57' ' ' TRP . 4.0 mt -145.48 136.41 12.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 51.6 Cg_exo -52.8 116.48 2.92 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.722 2.281 . . . . 0.0 112.488 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.07 -14.97 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.762 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.64 -12.9 61.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -104.44 -12.17 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.791 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 41' ' ' LEU . 67.2 mt -79.99 124.07 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.724 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.525 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 20.5 pt -109.36 -28.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.26 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.05 141.57 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -113.05 163.57 14.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.493 ' CB ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -141.82 -159.56 0.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.08 127.34 16.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.64 167.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.39 156.19 19.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -6.79 41.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.44 4.74 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' GLY . 9.1 m -116.23 -162.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.831 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -56.77 -150.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.39 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.15 89.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.99 -153.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.5 mm -119.4 150.67 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.067 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.493 ' HB ' ' CB ' ' A' ' 28' ' ' GLN . 14.4 mm -104.88 132.61 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.646 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 52.6 mt -117.88 114.42 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 29.1 tt0 -110.88 125.58 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.518 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 28.7 p -104.69 166.69 10.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 14.5 ptp180 -63.35 -11.9 26.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.963 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 26.86 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 57.73 48.46 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.518 ' CB ' ' OG1' ' A' ' 43' ' ' THR . 5.4 ttm-85 -104.76 105.74 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 79.3 mt -110.83 104.01 12.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.749 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 37.3 m-85 -122.82 162.0 22.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -101.46 120.91 41.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB3' HG23 ' A' ' 58' ' ' VAL . . . -125.67 131.49 52.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.32 129.74 83.64 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HG3' HG12 ' A' ' 39' ' ' ILE . 36.9 Cg_exo -56.94 -14.7 14.86 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.822 2.348 . . . . 0.0 112.207 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' O ' ' CE ' ' A' ' 59' ' ' LYS . 25.1 mtmt -70.26 -28.23 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -74.31 133.7 42.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.707 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.535 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.11 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.484 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 p-90 -46.87 -22.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.221 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.488 HG21 ' NE1' ' A' ' 57' ' ' TRP . 95.9 t -88.08 -48.7 14.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 54' ' ' LYS . 44.7 mttt -61.81 -40.47 95.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.893 0.378 . . . . 0.0 110.227 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.59 -42.39 61.62 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.821 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.6 -46.73 58.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.427 ' SD ' HD13 ' A' ' 39' ' ' ILE . 64.4 mtm -68.52 -55.42 11.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.688 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -52.34 -21.31 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 109.841 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.419 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 46.2 t60 -74.67 -58.87 3.01 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.806 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' HA ' HD21 ' A' ' 65' ' ' LEU . 13.3 mt -65.64 -22.01 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.415 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 1.6 m-20 -72.51 -36.4 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -89.29 30.49 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 67' ' ' ARG . 25.4 mt-30 -152.54 -64.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.86 -11.96 43.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 66' ' ' ASP . . . -85.8 15.14 5.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.08 35.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 67.83 -76.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.97 100.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.517 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 4.2 mtm105 -75.53 -30.63 59.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -130.26 115.9 17.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.419 -1.211 . . . . 0.0 112.504 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.94 66.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 71.3 -70.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -135.82 126.88 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.81 113.84 3.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.4 m -124.49 51.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.727 0.299 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 t -108.61 -6.33 16.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 74.87 43.42 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.5 t 156.93 113.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.775 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 10' ' ' ILE . 13.7 p30 -43.19 -48.66 6.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 5.9 tt -133.59 107.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -105.98 137.1 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 89.3 m -76.82 84.33 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -75.17 -52.76 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HE1' ' A' ' 15' ' ' MET . 0.0 OUTLIER -130.88 -176.86 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.753 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.423 ' HE1' ' O ' ' A' ' 14' ' ' LYS . 8.3 mmt -113.24 131.94 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -78.52 -172.09 2.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.15 176.21 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 ttpm? -65.7 77.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.576 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 30.6 mt -69.59 140.59 89.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.527 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 14.8 Cg_endo -56.91 134.17 62.73 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.892 2.395 . . . . 0.0 112.236 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -22.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.88 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.485 ' CD1' ' HG2' ' A' ' 20' ' ' PRO . 10.0 mt -104.47 -24.81 12.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.13 142.92 47.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.579 ' CG2' ' CG ' ' A' ' 44' ' ' ARG . 10.5 pt -129.63 -36.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.372 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -154.58 146.72 23.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 22.4 p90 -128.73 152.77 48.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.67 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -142.57 167.18 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.033 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 170.5 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -111.17 147.87 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.54 141.61 42.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.18 24.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -106.87 19.86 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 m -104.63 -86.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.66 -123.38 1.21 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 34.9 mttt -70.37 145.7 50.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -72.87 84.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.675 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -127.64 -171.28 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 3.4 mm -112.11 158.31 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.456 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 16.1 mm -107.67 129.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.634 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 45.0 mt -118.18 123.61 45.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 37.3 tt0 -110.94 128.69 55.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.539 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 20.1 p -104.31 164.93 11.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.249 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.579 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 65.4 mtm180 -56.4 -16.6 6.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -104.43 34.72 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 48.75 51.48 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.583 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 12.0 ttm-85 -104.54 107.76 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.752 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD22 ' HG3' ' A' ' 42' ' ' GLU . 80.2 mt -105.64 111.64 24.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.583 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 17.8 m-85 -131.19 146.74 52.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.9 m -88.53 107.11 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . . . -107.25 112.36 25.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 0.4 OUTLIER -56.35 131.21 75.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 51.3 Cg_exo -53.82 -42.98 62.01 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.764 2.309 . . . . 0.0 112.229 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -23.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.78 128.76 36.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.515 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.04 -50.94 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.376 -179.583 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.634 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 2.5 p-90 -46.9 -23.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.232 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.511 ' CG2' ' HB3' ' A' ' 51' ' ' ALA . 73.1 t -88.76 -46.62 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.06 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 18.6 mttm -59.27 -43.36 92.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.381 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD2' ' OE1' ' A' ' 56' ' ' GLN . 1.7 m-20 -75.62 -48.76 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.469 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -52.86 -41.16 64.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.067 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.529 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.8 mtm -70.54 -55.19 9.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -44.69 -28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 109.935 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.51 -59.4 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.65 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 25' ' ' ILE . 39.2 mt -48.89 -39.55 26.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.981 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -62.83 -57.27 11.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -42.49 -33.81 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.39 -54.46 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.78 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.54 -13.14 60.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.84 -17.31 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.07 -54.4 3.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.459 ' O ' ' OG1' ' A' ' 73' ' ' THR . 1.5 p -123.77 93.58 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -71.76 -84.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -116.26 -42.8 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.485 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.834 0.35 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.88 175.21 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 63.46 -87.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.828 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 128.79 18.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.799 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.63 77.47 1.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.427 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.413 ' O ' ' CG2' ' A' ' 5' ' ' VAL . 11.7 m -122.42 48.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 111.072 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.416 ' C ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -130.84 105.87 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -131.35 46.38 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' ASN . 4.9 p -120.68 71.51 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -36.8 -33.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.449 HG21 ' O ' ' A' ' 10' ' ' ILE . 6.0 tt -135.06 118.56 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.17 136.75 44.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.1 m -90.5 70.7 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -69.39 -39.24 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.98 179.35 6.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.529 ' CE ' ' HB3' ' A' ' 38' ' ' ALA . 16.2 mmt -119.5 140.57 50.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.464 HG23 ' HB3' ' A' ' 49' ' ' PHE . 3.9 t -87.18 -169.2 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.88 -172.83 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -74.54 140.82 44.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.54 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 4.9 mt -138.75 142.09 32.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.323 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.54 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 52.9 Cg_exo -53.49 116.01 2.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 61' ' ' ALA . 4.3 p -54.57 -21.3 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.977 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.22 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.71 -5.17 21.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 41' ' ' LEU . 44.7 mt -85.23 141.77 29.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.525 ' CG2' ' CG ' ' A' ' 44' ' ' ARG . 18.4 pt -116.84 -29.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 25' ' ' ILE . 23.4 m-70 -159.36 158.18 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -132.52 134.79 45.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.688 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 170.34 10.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -112.76 145.91 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -79.94 161.68 25.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -102.3 133.85 46.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.39 82.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -178.99 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -105.11 131.61 52.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.74 -159.63 48.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.347 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.63 157.87 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -65.2 88.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB3' ' CE ' ' A' ' 15' ' ' MET . . . -128.23 -168.8 1.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.9 mm -119.29 151.45 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.409 ' CD1' HG22 ' A' ' 10' ' ' ILE . 18.2 mm -105.01 133.17 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.569 HD11 ' CH2' ' A' ' 57' ' ' TRP . 86.7 mt -124.35 128.73 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG3' HD22 ' A' ' 48' ' ' LEU . 53.2 tt0 -110.85 130.56 55.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.483 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 47' ' ' ARG . 74.0 p -104.79 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.367 . . . . 0.0 111.345 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 29.8 mtm180 -67.23 -7.95 27.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.799 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -104.22 20.88 17.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 53.89 37.33 26.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.597 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.589 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 2.6 ttm180 -104.54 118.48 36.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.239 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 9.9 mt -104.9 131.25 52.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.589 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 3.4 m-85 -134.83 151.02 50.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -99.63 99.92 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.459 ' HB3' ' OE1' ' A' ' 55' ' ' GLU . . . -105.72 123.5 48.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD2' ' HG3' ' A' ' 54' ' ' LYS . 2.5 t70 -61.42 136.39 94.27 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HG3' HG12 ' A' ' 39' ' ' ILE . 48.2 Cg_exo -55.56 -17.89 18.48 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.696 2.264 . . . . 0.0 112.17 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 52.3 mttt -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' OE1' ' HB3' ' A' ' 51' ' ' ALA . 26.7 mt-10 -69.05 132.79 47.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.53 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.182 -179.12 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CH2' HD11 ' A' ' 41' ' ' LEU . 4.2 p-90 -52.18 -18.85 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 57' ' ' TRP . 79.9 t -88.29 -32.16 5.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.945 0.402 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 54' ' ' LYS . 16.4 mttp -69.02 -54.35 15.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.077 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -68.19 -43.72 77.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.57 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -52.06 -44.66 64.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.982 0.42 . . . . 0.0 110.549 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.423 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 37.6 mtm -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -44.87 -27.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.084 0.469 . . . . 0.0 109.96 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.39 -63.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.433 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 11.9 mt -55.73 -17.74 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 62' ' ' MET . 35.4 m-20 -68.05 -36.5 79.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.07 -9.2 49.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -63.31 -68.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.58 -48.05 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.208 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.02 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 68' ' ' GLN . . . -55.92 -17.09 5.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.304 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.2 OUTLIER -124.48 -47.07 1.87 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER 166.9 163.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.05 118.57 3.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -117.91 -61.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.581 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.852 0.358 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.55 -54.22 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.769 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.3 177.55 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -45.36 135.69 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.25 159.91 2.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 5' ' ' VAL . 8.0 p -132.9 64.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -130.73 -177.64 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 164.4 42.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.204 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' ASN . 1.4 t -111.18 136.87 49.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.922 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -36.12 -63.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.946 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 6.3 tt -134.45 112.51 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.457 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 1.2 t -118.04 130.97 56.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' SG ' ' HB1' ' A' ' 38' ' ' ALA . 10.9 m -72.72 78.03 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -72.42 -21.78 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.795 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 -176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.78 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.2 mmt -102.24 161.88 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.991 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -110.58 -167.5 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.96 163.69 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -58.5 134.34 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.551 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 58.5 mt -130.17 146.25 60.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.551 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 16.1 Cg_exo -66.29 138.05 49.72 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.657 2.238 . . . . 0.0 112.19 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.32 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -16.64 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' CD2' ' HB2' ' A' ' 20' ' ' PRO . 1.5 mm? -104.51 -18.01 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 12.0 mt -74.44 128.83 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 44' ' ' ARG . 29.5 pt -122.72 -31.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.07 146.09 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' HB3' HD11 ' A' ' 65' ' ' LEU . 12.9 p90 -121.42 157.71 29.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.733 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -147.69 -156.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -150.37 149.8 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -69.35 153.75 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 45.2 mm-40 -78.02 152.37 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.29 -7.2 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 p -131.2 35.31 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 11' ' ' THR . 48.2 t -119.79 -71.38 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' HA3' ' OG1' ' A' ' 11' ' ' THR . . . -141.39 -116.7 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.765 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 78.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB1' ' SG ' ' A' ' 12' ' ' CYS . . . -122.57 -174.48 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.445 HG21 ' O ' ' A' ' 28' ' ' GLN . 8.1 mm -108.56 146.97 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.455 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 5.9 mm -104.93 141.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 56.4 mt -124.21 130.33 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 56.1 tt0 -120.67 126.72 50.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.607 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.522 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 14.8 p -104.46 164.88 11.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' N ' HG22 ' A' ' 25' ' ' ILE . 1.9 ptt180 -62.02 -11.87 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -104.09 27.96 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.681 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 55.72 47.8 19.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.591 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 3.8 ttt85 -104.59 111.48 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 22.1 mt -111.08 116.94 31.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.591 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 11.8 m-85 -134.55 170.49 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.37 110.28 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.26 143.3 45.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 133.13 92.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.789 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.81 -14.12 20.94 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.841 2.36 . . . . 0.0 112.257 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.77 -34.5 39.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.3 mt-10 -47.86 134.97 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -57.54 -56.36 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.251 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 6.8 p-90 -54.47 -17.16 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.48 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 55' ' ' GLU . 54.3 t -88.23 -29.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.969 0.414 . . . . 0.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -72.85 -52.61 14.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.043 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.09 -43.81 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.262 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -53.39 -49.64 66.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 110.423 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.1 mtm -67.72 -57.37 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.534 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -44.78 -27.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.45 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 61.6 t60 -75.42 -48.71 21.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.382 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 27' ' ' TYR . 88.6 mt -60.43 -40.49 91.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -61.23 -30.86 70.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -94.49 35.32 1.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -143.71 -69.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.981 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.04 -19.42 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.05 61.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.27 -5.94 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -119.91 -16.58 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.159 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -138.31 34.19 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -43.32 139.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -130.81 -38.69 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.547 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 37.2 ttp . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.532 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . 0.9 OUTLIER -41.25 -39.66 1.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 1' ' ' GLN . 0.0 OUTLIER 171.93 96.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 2' ' ' HIS . 8.7 t60 169.67 -43.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.14 29.51 6.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.568 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 p -118.66 87.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -131.87 -160.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.028 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 6' ' ' THR . 18.6 tttp 177.7 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' ASN . 42.8 t 63.37 133.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -37.83 -46.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 5.9 tt -134.18 111.56 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.423 ' O ' HG21 ' A' ' 11' ' ' THR . 6.7 t -107.04 118.99 38.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' SG ' ' ND2' ' A' ' 30' ' ' ASN . 85.7 m -78.76 73.24 5.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -48.9 28.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.67 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.24 -178.46 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.6 mmt -114.66 127.46 55.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -70.02 -170.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 19' ' ' ILE . 85.1 p -109.13 168.62 9.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 19' ' ' ILE . 9.1 tptp -42.76 144.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.485 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 22.2 mt -140.96 133.57 14.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -50.91 112.29 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 61' ' ' ALA . 5.8 p -53.19 -24.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.001 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.25 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.457 ' O ' ' HB ' ' A' ' 43' ' ' THR . 13.5 mt -104.56 -19.68 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD21 HG23 ' A' ' 43' ' ' THR . 33.3 mt -76.99 134.53 38.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.0 pt -122.69 -30.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.449 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.438 ' HB2' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -146.85 150.13 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 111.186 -179.754 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -131.93 131.83 43.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.7 174.02 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.037 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.09 145.16 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.729 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.456 ' ND2' ' SG ' ' A' ' 12' ' ' CYS . 27.5 t-20 -78.46 162.33 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -101.73 151.6 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.24 -0.56 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.73 -13.18 14.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.64 119.36 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 41.35 -146.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 146.88 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -65.1 86.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.56 -161.13 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.417 HG12 ' HG3' ' A' ' 53' ' ' PRO . 6.9 mm -110.45 148.21 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.274 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.3 mm -105.17 123.95 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.645 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -112.62 116.61 30.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 1.4 tt0 -111.7 128.22 56.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.77 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 14.2 p -104.29 164.43 11.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -16.24 2.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -104.0 35.07 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 48.8 50.99 16.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.591 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 9.0 ttm-85 -104.85 99.02 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -105.28 113.24 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.591 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.4 m-85 -130.47 145.21 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.1 m -87.47 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.99 142.8 40.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.78 132.23 55.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HG3' HG12 ' A' ' 39' ' ' ILE . 67.7 Cg_exo -50.96 -47.11 27.08 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.79 2.327 . . . . 0.0 112.366 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.36 -37.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' HB2' HG22 ' A' ' 58' ' ' VAL . 29.9 mt-10 -57.76 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.754 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.18 -50.6 73.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.37 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.645 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 11.4 p-90 -50.87 -20.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 110.964 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' A' ' 62' ' ' MET . 77.1 t -88.47 -44.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.76 -43.63 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.256 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.83 -43.66 58.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.925 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -43.69 50.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 37.2 mtm -68.63 -51.36 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.535 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -44.79 -29.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.061 0.458 . . . . 0.0 109.959 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.48 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 83.1 t60 -75.43 -59.05 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.737 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 8.5 mt -48.6 -39.52 24.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -52.72 -42.66 65.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.021 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -22.68 62.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 1.1 mp0 -71.72 -56.14 6.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.04 -31.44 72.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.39 -48.9 68.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.55 -11.63 17.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.322 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.75 -48.24 3.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.11 139.67 22.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -60.37 165.4 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -119.81 -34.68 3.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.778 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.486 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' OD1' HG22 ' A' ' 10' ' ' ILE . 1.5 p30 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.601 0.239 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -132.16 95.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -104.73 125.32 50.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 31.6 m -81.19 75.88 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -66.47 -35.24 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.417 . . . . 0.0 110.621 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 13' ' ' SER . 6.6 mmtp -145.4 -172.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.35 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 t -91.53 -171.62 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.23 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HE3' ' HB2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -63.93 137.68 58.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 12.7 mt -141.17 140.53 21.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HB2' HD23 ' A' ' 23' ' ' LEU . 41.0 Cg_exo -55.61 122.32 11.52 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.768 2.312 . . . . 0.0 112.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.87 -22.11 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.69 -5.94 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.214 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -104.75 -13.72 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 HG22 ' A' ' 43' ' ' THR . 22.9 mt -82.89 142.94 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 44' ' ' ARG . 23.9 pt -123.16 -34.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.402 ' N ' HG13 ' A' ' 25' ' ' ILE . 20.8 m-70 -150.86 152.65 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.5 p90 -133.23 121.03 21.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -101.1 -169.12 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.1 140.93 50.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -62.99 139.62 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.22 137.76 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.38 -10.27 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -117.88 20.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.68 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.58 -79.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.91 -145.83 4.21 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.429 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 18.4 mmtt -57.72 130.42 46.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.18 88.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.94 -152.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 4.1 mm -122.36 148.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.431 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.9 mm -104.91 122.85 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.628 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 82.3 mt -111.09 120.97 44.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.275 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.513 ' HA ' HD23 ' A' ' 48' ' ' LEU . 83.9 tt0 -112.81 125.12 54.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.436 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 HD23 ' A' ' 24' ' ' LEU . 20.6 p -104.6 164.08 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 111.165 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.566 ' HA ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -60.15 -13.07 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.998 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.431 ' OE1' ' NH2' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -104.47 30.63 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 54.38 48.35 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HB3' HG23 ' A' ' 43' ' ' THR . 10.3 ttm-85 -104.84 104.11 13.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 42' ' ' GLU . 12.5 mt -107.02 96.99 6.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CE2' ' HD3' ' A' ' 47' ' ' ARG . 27.9 m-85 -114.31 165.43 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 7.0 m -113.47 106.67 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.51 146.66 32.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -77.99 134.11 64.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.23 -27.64 31.01 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.781 2.321 . . . . 0.0 112.385 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.13 -39.67 94.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 13.7 mt-10 -48.54 128.27 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -58.83 -53.69 55.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.378 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.752 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 7.4 p-90 -50.54 -20.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.959 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 62' ' ' MET . 75.4 t -88.31 -42.68 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.474 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 13.9 mttt -55.96 -54.91 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.854 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.54 -43.28 77.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.348 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -39.62 41.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 64.2 mtm -71.18 -58.27 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.698 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -49.29 -23.07 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.015 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -74.99 -61.96 1.71 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.915 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 65' ' ' LEU . 7.7 mt -56.06 -18.13 8.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.665 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.786 0.327 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tt -129.34 139.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -126.67 129.42 48.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 96.2 m -77.0 80.94 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.467 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 11.9 t -73.08 -45.11 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' A' ' 13' ' ' SER . 8.2 mmpt? -143.12 -172.88 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.784 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -108.75 162.26 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -110.95 -168.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.23 146.76 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.587 HG22 ' HD2' ' A' ' 20' ' ' PRO . 6.8 mt -148.8 142.67 16.37 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.69 ' HB2' HD23 ' A' ' 23' ' ' LEU . 37.4 Cg_exo -58.76 128.76 29.28 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.406 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.01 -20.72 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' C ' HD22 ' A' ' 23' ' ' LEU . . . -68.49 -6.47 25.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.161 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.69 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -104.47 -16.63 15.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.661 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 41' ' ' LEU . 71.0 mt -81.28 139.4 35.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' A' ' 44' ' ' ARG . 30.5 pt -122.73 -34.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.535 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 25' ' ' ILE . 7.1 m80 -149.28 150.2 32.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 1.5 p90 -135.08 140.99 45.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.687 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.482 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -131.64 162.82 29.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.072 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 122.54 36.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -42.1 133.04 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' SER . 23.1 mt-30 -65.52 111.83 3.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 81.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' GLN . 25.2 p 176.3 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.03 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 145.48 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.71 -167.43 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.4 156.07 19.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 85.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -124.23 -157.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 3.5 mm -124.02 148.91 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.194 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.482 ' HB ' ' HG2' ' A' ' 28' ' ' GLN . 20.6 mm -104.68 118.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.886 HD12 ' CH2' ' A' ' 57' ' ' TRP . 14.3 mt -105.23 128.79 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.272 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.498 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 23.0 tt0 -120.57 131.8 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.576 ' CG2' ' CG ' ' A' ' 47' ' ' ARG . 47.7 p -105.04 171.9 7.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 111.406 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.522 ' HB3' HG21 ' A' ' 25' ' ' ILE . 6.7 ptp180 -75.01 0.66 15.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.98 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 46' ' ' HIS . 6.1 mt-30 -104.23 -3.4 24.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 9.4 m-70 86.21 35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.529 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.647 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.88 142.42 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.608 179.441 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 47' ' ' ARG . 7.6 mt -131.86 116.34 17.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CE1' ' HD3' ' A' ' 47' ' ' ARG . 7.5 m-85 -133.59 129.67 37.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -76.52 105.55 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.572 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -107.2 130.04 54.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -75.96 137.42 69.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 50.6 Cg_exo -53.18 -21.69 17.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -24.22 66.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HB2' HG23 ' A' ' 58' ' ' VAL . 24.0 mt-10 -70.84 130.36 41.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -58.04 -54.98 40.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.886 ' CH2' HD12 ' A' ' 41' ' ' LEU . 7.3 p-90 -51.61 -19.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.509 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.572 HG21 ' HB1' ' A' ' 51' ' ' ALA . 99.8 t -88.39 -42.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 37.1 mttm -59.37 -49.55 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.402 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -72.29 -46.27 56.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -48.43 -39.63 23.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mtm -73.31 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.681 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -45.0 -26.41 0.42 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -75.18 -51.14 14.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 mt -65.21 -23.49 67.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -134.98 117.11 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' THR . 12.0 t -110.18 122.97 48.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.84 63.46 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.03 -177.75 5.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.82 145.42 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -92.45 -175.13 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.474 ' O ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.84 175.94 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -54.03 148.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.532 HD13 HH11 ' A' ' 47' ' ' ARG . 18.4 mt -148.78 137.77 12.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.433 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 41.6 Cg_exo -55.56 132.03 49.7 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.823 2.349 . . . . 0.0 112.356 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG11 ' HB3' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -68.91 -22.75 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -12.15 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 22.0 mt -104.93 -20.15 13.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 41' ' ' LEU . 16.6 mt -75.93 136.38 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.574 HD11 ' HG2' ' A' ' 42' ' ' GLU . 23.1 pt -106.65 -41.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -161.25 164.05 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.023 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 5.1 p90 -130.57 147.12 52.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.532 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -120.62 -166.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.46 100.76 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.495 ' OD1' HG23 ' A' ' 10' ' ' ILE . 35.3 t30 -43.24 137.5 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -66.23 122.96 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 84.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 p -173.51 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.93 132.05 54.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.753 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -117.88 12.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -130.2 150.76 51.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 85.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.2 -166.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mm -107.84 152.61 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.532 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.0 mm -104.98 129.2 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.645 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 58.4 mt -118.39 117.4 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.597 ' HG3' HD21 ' A' ' 48' ' ' LEU . 46.1 tt0 -111.82 126.86 55.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.554 HG23 ' HB3' ' A' ' 47' ' ' ARG . 19.6 p -104.23 163.74 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.976 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -14.11 5.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -104.04 33.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.601 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 51.01 49.84 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HB3' HG23 ' A' ' 43' ' ' THR . 6.9 ttm180 -104.55 103.21 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.597 HD21 ' HG3' ' A' ' 42' ' ' GLU . 19.1 mt -107.48 105.01 14.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 35.4 m-85 -122.14 151.09 41.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.42 100.88 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.25 125.64 51.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 135.65 95.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 35.5 Cg_endo -64.43 -6.97 12.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.867 2.378 . . . . 0.0 112.434 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -14.55 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB2' HG23 ' A' ' 58' ' ' VAL . 26.5 mt-10 -82.33 132.28 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.6 -49.3 78.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.335 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.648 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.3 p-90 -50.65 -20.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.009 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.522 HG23 ' HB2' ' A' ' 55' ' ' GLU . 59.3 t -88.47 -43.33 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.794 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 49.6 mttt -66.95 -40.91 87.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.251 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CB ' HE22 ' A' ' 56' ' ' GLN . 1.3 m-20 -74.17 -42.94 59.11 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.029 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.81 -46.64 59.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.501 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.4 mtm -67.07 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.524 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -45.01 -28.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.492 ' HB3' HG11 ' A' ' 21' ' ' VAL . 77.6 t60 -75.64 -52.09 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.476 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.52 -25.23 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.765 0.317 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.2 tt -135.09 129.21 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -125.22 171.08 10.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 77.3 m -109.21 33.72 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 21.1 t -59.22 88.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' SER . 13.1 tptt 85.7 150.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.764 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.0 mmt -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -75.78 -168.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -105.35 -173.49 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.01 143.02 49.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.6 mt -145.27 137.13 13.02 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 37.3 Cg_endo -67.0 124.5 12.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.262 . . . . 0.0 112.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 p -52.78 -24.45 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.66 -11.81 28.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -104.98 -19.1 13.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD23 HG22 ' A' ' 43' ' ' THR . 12.1 mt -73.05 126.93 31.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 44' ' ' ARG . 32.8 pt -106.71 -28.14 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 142.53 16.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 20.2 p90 -120.35 105.88 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -93.76 -175.46 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 138.63 53.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.787 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.804 ' HA ' HD11 ' A' ' 40' ' ' ILE . 9.8 t30 -58.41 142.04 49.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.99 128.29 34.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -65.45 82.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 163.64 -24.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.2 m -108.96 146.9 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 35.95 -147.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.573 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 153.65 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.707 0.289 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 76.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.66 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -113.24 -167.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.0 mm -106.88 153.53 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.205 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.804 HD11 ' HA ' ' A' ' 30' ' ' ASN . 2.4 mm -104.85 127.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.694 HD12 ' CH2' ' A' ' 57' ' ' TRP . 7.6 mt -114.14 121.37 43.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 63.8 tt0 -116.01 126.53 53.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.699 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.593 HG22 HD23 ' A' ' 24' ' ' LEU . 24.3 p -104.64 166.26 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.564 ' HA ' HD13 ' A' ' 25' ' ' ILE . 8.0 ptm180 -66.13 -8.52 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -104.18 22.42 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.781 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 62.8 46.42 5.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.649 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 4.8 ttm-85 -104.44 102.31 11.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 2.2 mt -109.86 109.11 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.649 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.2 m-85 -133.81 -179.83 5.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 2.4 m -117.56 116.12 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.528 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -108.81 159.09 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -90.6 126.32 56.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 51.3 Cg_exo -53.57 -19.69 14.45 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 4.3 mmtp -79.35 -20.67 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -62.2 129.39 40.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -57.36 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.234 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.694 ' CH2' HD12 ' A' ' 41' ' ' LEU . 20.7 p-90 -53.54 -19.16 3.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.522 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG21 ' HB1' ' A' ' 51' ' ' ALA . 71.2 t -88.27 -35.91 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 53.5 mttt -66.84 -51.7 52.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 110.046 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -69.03 -46.57 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.223 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -47.74 -47.26 30.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.0 110.349 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.9 mtm -70.54 -57.67 4.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.512 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.56 -26.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 109.899 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 61' ' ' ALA . 8.7 t-80 -74.52 -56.25 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.96 -35.26 74.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.905 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.875 0.369 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' ILE . 4.6 tt -132.2 90.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -104.9 135.12 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 20.7 m -90.77 59.1 4.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.99 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -75.13 -12.9 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.01 153.21 33.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 132.95 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 17' ' ' SER . 3.5 t -73.54 -169.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 16' ' ' THR . 0.7 OUTLIER -104.85 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -78.24 111.96 14.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 13.2 mt -111.93 138.65 21.73 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 19.4 Cg_endo -58.31 125.23 17.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.835 2.357 . . . . 0.0 112.255 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 24' ' ' LEU . 1.5 t -59.78 -21.78 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.2 -16.59 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.72 -26.85 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 21' ' ' VAL . 17.4 mt -58.22 130.46 46.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.634 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.535 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 8.8 pt -112.37 -36.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.5 m-70 -151.25 155.35 38.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.008 0.432 . . . . 0.0 111.378 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.891 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.4 p90 -135.15 139.96 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.64 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.85 172.01 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.87 0.367 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.6 tt0 -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' CB ' ' A' ' 34' ' ' CYS . 40.7 t-20 -36.92 129.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -49.17 152.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -75.39 54.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.9 p 159.43 42.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -116.16 -74.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.18 -128.32 2.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -87.53 178.06 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.842 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 64.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -110.57 -175.57 2.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.571 HG22 ' N ' ' A' ' 40' ' ' ILE . 4.5 mm -114.82 161.94 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.571 ' N ' HG22 ' A' ' 39' ' ' ILE . 11.0 mm -111.68 127.72 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.714 HD12 ' CH2' ' A' ' 57' ' ' TRP . 15.3 mt -117.47 131.85 56.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 29.9 tt0 -124.96 123.72 40.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.767 HG23 ' HB3' ' A' ' 47' ' ' ARG . 1.8 p -105.0 161.18 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.058 0.456 . . . . 0.0 111.553 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.535 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -56.63 -13.79 2.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.669 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -103.92 33.11 3.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 52.59 47.77 23.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HB3' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -104.5 100.52 10.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.709 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 ' CD2' ' HB2' ' A' ' 42' ' ' GLU . 15.2 mt -104.93 93.65 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 3.2 m-85 -123.25 153.04 40.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 56.1 m -91.94 129.99 37.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.615 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -123.84 135.95 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.98 127.57 91.55 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HG3' HG12 ' A' ' 39' ' ' ILE . 51.6 Cg_exo -54.13 -22.42 25.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.782 2.321 . . . . 0.0 112.203 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.95 -10.83 59.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 40.0 mt-10 -76.39 133.24 39.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -55.25 -61.14 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.159 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.744 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.5 p-90 -51.53 -18.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.759 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.615 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 57.5 t -87.86 -45.42 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.12 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 22.8 mttm -56.74 -52.34 65.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.011 0.434 . . . . 0.0 110.146 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.35 -47.42 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -44.97 -40.85 6.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.018 0.437 . . . . 0.0 110.301 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.0 mtm -69.61 -55.85 8.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -45.86 -26.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.025 0.441 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -75.85 -54.8 6.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.585 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.891 HD12 ' HB3' ' A' ' 27' ' ' TYR . 4.6 mt -60.44 -29.98 69.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.93 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' CE1' ' A' ' 27' ' ' TYR . 31.0 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.775 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.3 tt -133.96 95.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.375 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.4 m -104.95 103.89 13.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.412 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.6 m -68.72 82.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.336 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -75.41 -19.33 59.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.542 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 -178.53 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.584 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.75 152.49 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 17' ' ' SER . 1.8 t -91.91 -169.94 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 16' ' ' THR . 10.5 p -104.82 174.27 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.781 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -71.2 122.1 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.452 ' O ' ' CE3' ' A' ' 57' ' ' TRP . 16.6 mt -121.07 137.72 27.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -56.06 128.47 30.34 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.77 2.313 . . . . 0.0 112.421 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.826 ' HA ' HD12 ' A' ' 24' ' ' LEU . 8.9 p -64.93 -23.6 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -12.58 19.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -104.69 -21.87 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -73.47 142.87 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 44' ' ' ARG . 44.2 pt -122.75 -26.75 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.453 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.478 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -161.09 147.19 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 39.7 p90 -119.57 124.94 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.523 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -103.87 -177.09 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.97 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' C ' HG12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -120.42 153.08 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 8.1 t-20 -86.68 150.34 24.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.49 ' OE1' ' N ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -76.8 149.04 36.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.03 45.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.193 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.1 p -131.5 37.94 3.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 11' ' ' THR . 30.7 m -135.24 45.59 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.8 -138.52 13.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 128.29 34.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.318 . . . . 0.0 110.841 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 89.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' ASN . . . -123.58 -162.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 13.9 mm -112.49 154.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.523 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 10.0 mm -105.03 142.9 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 29.3 mt -125.71 116.71 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 61.4 tt0 -112.73 124.02 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.569 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.642 HG22 HD23 ' A' ' 24' ' ' LEU . 20.3 p -104.95 164.63 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.381 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 25' ' ' ILE . 13.7 ptp180 -60.04 -13.56 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.2 30.81 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 53.85 49.25 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 10.4 ttt-85 -104.74 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 43.9 mt -110.09 110.63 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.777 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.6 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 21.5 m-85 -133.12 155.65 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.8 m -96.49 99.79 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.712 ' HB1' ' OE1' ' A' ' 55' ' ' GLU . . . -105.31 140.26 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.001 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.95 139.56 85.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.36 -11.56 30.81 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.864 2.376 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -18.67 56.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.712 ' OE1' ' HB1' ' A' ' 51' ' ' ALA . 62.3 mt-10 -67.43 129.79 41.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.494 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -56.74 -57.96 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.096 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.703 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 11.3 p-90 -50.57 -17.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.004 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.536 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 93.4 t -88.01 -38.08 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.416 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 44.9 mttt -64.41 -48.53 75.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.873 0.368 . . . . 0.0 110.201 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -72.68 -44.67 61.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.217 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -47.98 -39.65 20.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.55 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 35.8 mtm -71.49 -61.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -44.75 -27.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.766 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -73.03 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.58 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 26' ' ' HIS . 25.0 mt -65.79 -29.32 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.82 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.46 0.058 0 CA-C-O 120.72 0.295 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.498 HD13 HD12 ' A' ' 40' ' ' ILE . 6.0 tt -124.76 142.95 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.913 0.387 . . . . 0.0 111.539 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -134.43 138.8 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.637 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.4 m -99.77 71.3 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -32.88 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 155.67 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.1 176.87 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -128.79 -179.24 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -105.8 -177.58 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -58.48 150.19 23.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.564 HG23 ' HD2' ' A' ' 20' ' ' PRO . 40.6 mt -148.16 139.21 13.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 19' ' ' ILE . 11.5 Cg_endo -54.49 124.47 16.19 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.954 2.436 . . . . 0.0 112.29 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -68.06 -20.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' C ' HD23 ' A' ' 23' ' ' LEU . . . -64.54 -10.05 23.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 22' ' ' ALA . 6.1 mt -104.74 -20.03 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.89 ' HB3' HD11 ' A' ' 65' ' ' LEU . 85.9 mt -68.2 130.08 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 44' ' ' ARG . 47.3 pt -120.84 -28.85 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.69 142.9 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 10.7 p90 -124.12 146.85 48.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.48 163.08 29.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -100.73 146.51 27.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -75.51 142.35 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.8 mm-40 -90.58 131.1 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -59.72 80.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.77 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.91 119.52 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.29 43.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.7 170.36 9.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.802 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 86.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -127.77 -157.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 4.8 mm -131.62 153.36 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.498 HD12 HD13 ' A' ' 10' ' ' ILE . 8.4 mm -108.8 131.78 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.642 HD12 ' CH2' ' A' ' 57' ' ' TRP . 36.8 mt -117.11 121.56 41.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 36.5 tt0 -110.7 126.03 54.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 47' ' ' ARG . 14.4 p -104.34 163.62 12.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.962 0.411 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.754 ' HA ' HD13 ' A' ' 25' ' ' ILE . 1.8 ptt180 -55.42 -16.06 3.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.93 35.46 2.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 49.09 49.91 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -104.65 102.96 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 77.9 mt -107.57 102.81 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.614 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 7.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.94 98.19 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 128.59 53.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 137.29 97.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 41.2 Cg_endo -67.12 -4.49 11.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.785 2.323 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -23.67 39.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.017 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.51 135.17 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.677 HE22 ' HB2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -61.08 -47.48 86.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.44 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.642 ' CH2' HD12 ' A' ' 41' ' ' LEU . 10.9 p-90 -50.88 -20.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.053 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.5 t -88.77 -37.52 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 53' ' ' PRO . 2.3 mttt -68.76 -43.22 76.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.677 ' HB2' HE22 ' A' ' 56' ' ' GLN . 0.5 OUTLIER -75.04 -42.55 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.198 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -53.36 -44.58 68.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.698 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 27.1 mtm -71.12 -53.13 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.697 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -30.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.67 -56.04 5.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.778 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.89 HD11 ' HB3' ' A' ' 24' ' ' LEU . 84.4 mt -57.34 -27.03 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.917 0.389 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 48' ' ' LEU . 5.6 tt -135.04 121.86 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.233 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.06 134.99 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.651 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.0 m -91.5 55.39 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -75.21 -33.62 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.53 155.3 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.3 mmt -102.51 160.8 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 17' ' ' SER . 1.6 t -107.34 -168.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 16' ' ' THR . 0.3 OUTLIER -104.78 -177.55 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -72.63 137.14 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.659 HD12 ' CH2' ' A' ' 57' ' ' TRP . 8.8 mt -134.57 139.52 32.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.525 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 9.5 Cg_endo -51.53 131.79 38.18 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.844 2.363 . . . . 0.0 112.036 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG13 ' HA ' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -61.36 -23.13 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.78 -4.28 23.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HG ' ' HG2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -104.79 -3.9 22.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.093 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 HG22 ' A' ' 43' ' ' THR . 76.5 mt -97.73 133.33 42.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.988 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' HG2' ' A' ' 42' ' ' GLU . 13.6 pt -105.1 -29.94 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.446 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -160.2 162.08 33.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.649 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.0 p90 -132.39 146.21 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.2 162.57 36.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 145.7 27.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.96 168.0 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 18.3 mt-30 -100.84 155.15 18.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -4.05 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -100.38 14.79 29.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 31' ' ' GLN . 4.0 m -125.43 -157.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 -161.96 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 158.87 0.4 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -74.52 73.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -107.04 -172.9 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mm -111.29 148.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.088 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 48' ' ' LEU . 3.3 mm -105.85 119.21 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.922 HD12 ' CH2' ' A' ' 57' ' ' TRP . 64.3 mt -104.98 130.21 53.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.996 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' A' ' 25' ' ' ILE . 4.1 tt0 -104.48 127.38 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.72 HG22 HD23 ' A' ' 24' ' ' LEU . 64.6 p -104.44 168.54 9.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' HA ' HG21 ' A' ' 25' ' ' ILE . 11.5 mtm180 -59.43 -17.29 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -104.67 32.53 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 48.67 49.78 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.638 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -107.37 126.53 52.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 10' ' ' ILE . 9.5 mt -107.64 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 47' ' ' ARG . 7.3 m-85 -111.71 129.87 55.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.97 82.14 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.51 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.573 ' CB ' HG21 ' A' ' 58' ' ' VAL . . . -104.95 123.3 47.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.239 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.5 138.8 75.68 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 71.2 Cg_exo -47.9 -20.52 2.05 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.768 2.312 . . . . 0.0 112.573 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -70.56 -49.08 51.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.967 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' OE2' ' HA ' ' A' ' 51' ' ' ALA . 41.6 mt-10 -38.3 129.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.438 HE22 ' HB2' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -58.43 -56.74 18.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.527 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.922 ' CH2' HD12 ' A' ' 41' ' ' LEU . 5.0 p-90 -50.08 -18.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.573 HG21 ' CB ' ' A' ' 51' ' ' ALA . 68.0 t -88.09 -41.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -66.34 -48.08 71.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.423 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' HB2' HE22 ' A' ' 56' ' ' GLN . 7.6 m-20 -70.5 -43.86 68.81 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.222 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.32 -44.84 44.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtp -68.35 -49.58 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.84 -33.06 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -75.82 -49.78 17.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.554 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.649 HD12 ' HB3' ' A' ' 27' ' ' TYR . 5.9 mt -58.64 -32.59 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.847 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 10' ' ' ILE . 2.6 p30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.907 0.384 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.442 ' N ' ' CG ' ' A' ' 9' ' ' ASN . 5.5 tt -135.14 129.18 50.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.396 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 11' ' ' THR . 14.7 t -122.62 110.11 15.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 5.0 m -69.78 63.28 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -70.51 -48.9 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.57 164.65 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.426 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -88.26 156.68 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.078 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 t -104.55 -172.87 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' ILE . 3.6 m -104.81 161.65 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.508 ' HG2' ' CB ' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -50.04 135.74 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.487 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 14.7 mt -131.83 130.24 22.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 73.7 Cg_exo -47.52 121.62 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.733 2.289 . . . . 0.0 112.366 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.33 -24.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -7.5 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HA ' ' CD ' ' A' ' 44' ' ' ARG . 11.6 mt -104.52 -18.65 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.572 HD12 ' HB1' ' A' ' 61' ' ' ALA . 90.3 mt -78.26 126.56 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.798 HG23 ' HG3' ' A' ' 44' ' ' ARG . 3.2 pt -111.61 -30.02 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -147.32 141.39 26.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.957 0.408 . . . . 0.0 111.308 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 12.0 p90 -122.3 116.4 24.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -109.18 -172.97 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.235 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.9 140.91 52.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.651 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HA ' HD11 ' A' ' 40' ' ' ILE . 66.8 t30 -62.95 155.99 25.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -93.15 143.26 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.63 60.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.78 36.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -134.98 -89.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.89 -116.47 2.4 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 7.7 mmtm -98.72 141.45 31.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 1.3 ptt85 -61.32 90.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.83 -163.25 1.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.318 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 40' ' ' ILE . 8.5 mm -113.97 153.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.454 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 4.8 mm -104.8 125.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.979 HD12 ' CH2' ' A' ' 57' ' ' TRP . 7.9 mt -113.32 115.79 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 25.1 tt0 -106.75 129.33 54.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 23.4 p -104.58 166.9 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.798 ' HG3' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -63.34 -10.78 18.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -104.78 21.57 16.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 63.1 45.9 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.721 ' C ' HD23 ' A' ' 48' ' ' LEU . 2.4 ttt85 -104.91 108.03 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.721 HD23 ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -110.29 107.01 16.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 33.0 m-85 -123.83 147.17 47.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 4.4 m -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -111.84 143.72 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -84.44 125.2 72.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 76.8 Cg_exo -49.57 -20.82 4.57 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.666 2.244 . . . . 0.0 112.25 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -62.39 -33.08 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 23.8 mt-10 -71.22 134.23 46.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.19 -51.68 68.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.979 ' CH2' HD12 ' A' ' 41' ' ' LEU . 7.2 p-90 -48.83 -21.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 111.111 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.502 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 83.9 t -88.36 -44.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.05 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 10.8 mttt -65.17 -41.55 94.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.402 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.06 -45.03 44.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.06 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -51.39 -48.83 62.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.605 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 mtp -66.53 -53.39 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.48 -28.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 109.855 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -75.41 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.63 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 65' ' ' LEU . 21.4 mt -58.86 -21.13 56.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.721 0.296 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -135.29 117.53 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -115.11 134.09 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.39 66.15 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -30.57 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -179.26 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.4 128.72 56.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 17' ' ' SER . 1.6 t -70.01 -171.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 16' ' ' THR . 34.4 m -106.57 -176.97 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.939 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HG2' ' HB2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -61.82 152.96 30.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.71 HG23 ' HD2' ' A' ' 20' ' ' PRO . 84.9 mt -150.08 142.77 15.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.968 ' CB ' HD13 ' A' ' 23' ' ' LEU . 9.8 Cg_endo -50.64 130.23 29.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.09 2.527 . . . . 0.0 112.598 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.637 HG22 ' CE1' ' A' ' 64' ' ' HIS . 5.3 p -67.8 -37.88 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.82 3.6 9.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.968 HD13 ' CB ' ' A' ' 20' ' ' PRO . 2.0 mp -103.98 -10.15 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.657 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.85 141.13 29.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.643 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.531 HG13 ' N ' ' A' ' 26' ' ' HIS . 45.7 pt -119.32 -37.27 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.656 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.531 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -141.94 144.92 33.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.992 0.425 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.442 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.7 p90 -135.19 130.74 35.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.516 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.94 173.99 10.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.51 136.83 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.401 ' CB ' HD11 ' A' ' 40' ' ' ILE . 4.0 p-10 -72.53 -172.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -100.11 139.98 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.48 -4.45 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -105.91 15.17 27.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -134.69 113.19 11.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.13 -142.29 23.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 152.17 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -68.19 86.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.1 -160.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 3.4 mm -117.29 153.88 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.411 ' N ' HG22 ' A' ' 39' ' ' ILE . 19.9 mm -105.32 113.31 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 ' CH2' ' A' ' 57' ' ' TRP . 21.1 mt -106.01 124.82 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 39.9 tt0 -112.3 130.48 55.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.524 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 24.1 p -104.55 165.67 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.23 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 9.7 ptp180 -63.37 -11.66 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -104.6 25.87 9.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 58.19 47.39 14.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.787 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 1.4 ttm180 -104.72 107.89 19.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.5 mt -108.15 103.88 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 36.2 m-85 -126.28 141.98 51.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 18.4 m -84.06 105.66 15.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -108.17 120.63 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -62.84 135.96 96.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 36.1 Cg_exo -57.19 -25.54 64.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.795 2.33 . . . . 0.0 112.382 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 18.1 mmtp -66.6 -28.05 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.47 129.38 39.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -61.44 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.291 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.755 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 7.8 p-90 -44.82 -23.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.506 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.713 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 61.6 t -87.79 -47.83 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.692 0.282 . . . . 0.0 111.023 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 63.7 mttt -52.31 -55.04 24.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 109.978 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.78 -44.06 82.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.228 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.755 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.43 -47.25 56.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mtm -68.56 -54.21 18.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.672 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -51.98 -22.05 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.097 0.475 . . . . 0.0 109.737 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.637 ' CE1' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.78 -64.62 0.96 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.403 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.625 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 10.0 mt -48.08 -57.67 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.0 tt -135.08 124.89 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' SER . 8.9 t -111.31 119.61 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 60.7 m -67.13 64.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' THR . 27.1 m -75.13 -13.65 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.03 -170.29 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.814 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.407 ' CE ' ' OD1' ' A' ' 52' ' ' ASP . 13.2 mmt -130.78 136.26 48.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 t -81.06 -175.09 5.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.2 m -104.85 165.25 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.17 111.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.598 HG22 ' HD2' ' A' ' 20' ' ' PRO . 2.1 mt -108.74 141.21 22.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HD2' HG22 ' A' ' 19' ' ' ILE . 46.1 Cg_exo -54.96 124.77 17.11 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.776 2.318 . . . . 0.0 112.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.79 -24.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.89 -6.72 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 78.0 mt -104.9 -17.36 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.758 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 HG22 ' A' ' 43' ' ' THR . 42.1 mt -78.94 138.96 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 46.2 pt -116.09 -30.91 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.45 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -167.85 150.82 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.062 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 54.2 p90 -112.51 -173.19 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.472 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 17.2 mt-30 -157.07 162.58 39.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.64 102.26 11.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.415 HD21 ' HA ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -57.55 138.05 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.66 164.52 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.89 -1.94 24.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.298 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -107.3 13.65 26.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.2 m -122.1 112.01 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.57 -119.75 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.38 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 149.19 27.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.737 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 87.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -123.2 -160.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.1 mm -121.7 150.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 3.7 mm -105.01 131.77 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.921 HD12 ' CH2' ' A' ' 57' ' ' TRP . 5.1 mt -113.75 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.515 ' HG3' HD23 ' A' ' 48' ' ' LEU . 18.7 tt0 -110.78 128.93 55.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.67 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 HD23 ' A' ' 24' ' ' LEU . 19.2 p -104.78 167.11 9.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.972 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 11.7 ptp180 -68.18 -7.01 26.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 1.4 tt0 -105.02 18.05 23.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 33.5 m-70 66.66 44.41 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.562 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 1.3 ttm-85 -105.11 110.94 23.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD23 ' HG3' ' A' ' 42' ' ' GLU . 1.6 mt -112.48 113.23 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 38.4 m-85 -132.34 160.82 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 m -103.63 110.53 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.97 139.66 44.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -67.87 129.29 93.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.47 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 19.7 Cg_endo -60.74 -12.55 22.15 Favored 'Trans proline' 0 C--N 1.34 0.093 0 C-N-CA 122.786 2.324 . . . . 0.0 112.335 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -33.4 53.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.583 ' HB2' HG23 ' A' ' 58' ' ' VAL . 5.8 mt-10 -61.44 132.35 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.526 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.49 -50.6 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.921 ' CH2' HD12 ' A' ' 41' ' ' LEU . 6.5 p-90 -47.07 -22.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.049 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.583 HG23 ' HB2' ' A' ' 55' ' ' GLU . 40.8 t -88.53 -51.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.327 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 79.6 mttt -55.15 -43.6 74.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.27 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' CB ' HE22 ' A' ' 56' ' ' GLN . 1.0 OUTLIER -75.33 -43.07 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.05 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -53.27 -36.24 60.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 62.5 mtm -74.23 -60.34 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.487 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -44.85 -27.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -75.53 -59.18 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.896 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 26' ' ' HIS . 18.3 mt -53.71 -25.04 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.4 tt -134.85 123.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.26 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 t -113.64 151.31 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 94.5 m -105.28 72.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -36.54 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -141.75 -179.65 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmt -107.47 163.37 13.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -111.82 -166.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -104.79 -173.23 2.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' HG3' ' HB3' ' A' ' 57' ' ' TRP . 6.9 tttt -71.94 144.13 49.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 20' ' ' PRO . 69.4 mt -139.44 140.36 25.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 19' ' ' ILE . 13.8 Cg_endo -56.82 119.08 6.07 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.834 2.356 . . . . 0.0 112.3 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG23 HD12 ' A' ' 24' ' ' LEU . 8.0 p -58.88 -20.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' C ' HD23 ' A' ' 23' ' ' LEU . . . -64.48 -9.91 21.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.545 ' CD1' ' HG2' ' A' ' 20' ' ' PRO . 4.0 mt -105.06 -20.43 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 21' ' ' VAL . 81.4 mt -67.77 133.11 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.582 ' CG2' ' CG ' ' A' ' 44' ' ' ARG . 17.6 pt -116.58 -35.18 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.97 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.523 ' N ' HG13 ' A' ' 25' ' ' ILE . 2.4 m-70 -166.67 148.91 6.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -117.16 143.51 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.8 169.11 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -112.21 106.6 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.26 152.96 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 3.7 mm-40 -83.43 141.78 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.85 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -83.43 -9.79 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 31' ' ' GLN . 3.6 m -111.18 135.63 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.55 -139.2 0.36 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.66 162.41 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -67.53 86.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -123.21 -166.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 mm -125.55 151.69 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 mm -104.75 141.1 20.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.548 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 87.1 mt -127.23 118.48 24.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.127 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 21.2 tt0 -106.06 131.23 53.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 47' ' ' ARG . 30.9 p -104.33 168.47 9.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.872 0.368 . . . . 0.0 111.377 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.582 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 39.6 mtp180 -60.5 -13.72 15.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.42 20.44 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 61.38 49.15 5.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.566 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.78 108.78 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 82.3 mt -105.69 117.23 33.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 13.5 m-85 -127.17 162.81 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.28 95.87 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.55 138.12 42.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.63 138.45 85.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.7 -20.35 57.98 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.826 2.35 . . . . 0.0 112.289 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -73.15 -28.92 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 44.9 mt-10 -56.24 132.13 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -57.16 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 9.0 p-90 -53.19 -17.64 1.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 86.7 t -88.48 -35.85 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -67.76 -48.39 66.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -72.92 -44.94 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.58 -43.84 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.9 mtm -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -48.06 -24.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 109.916 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -75.52 -48.29 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.97 -29.19 70.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.777 0.323 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.0 tt -134.91 120.89 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.29 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 9.9 t -105.33 117.56 34.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.699 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 62.9 m -78.31 61.9 2.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -24.04 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -153.76 160.0 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.761 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.401 ' SD ' ' HB2' ' A' ' 52' ' ' ASP . 24.2 mmt -91.89 158.96 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.991 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -105.94 -167.98 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.9 m -104.7 168.59 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' C ' HG13 ' A' ' 19' ' ' ILE . 10.3 tttt -50.8 159.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.487 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 36.4 mt -157.2 138.56 9.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.425 ' HB2' HD23 ' A' ' 23' ' ' LEU . 31.9 Cg_exo -60.42 123.66 13.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.793 2.329 . . . . 0.0 112.289 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 7.4 p -56.05 -22.37 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.14 -10.19 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.178 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.516 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -104.48 -21.31 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.7 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 23.2 mt -75.2 133.74 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.671 HD13 ' HA ' ' A' ' 44' ' ' ARG . 17.3 pt -121.83 -29.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.22 150.93 20.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.211 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 2.1 p90 -134.91 147.65 49.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -133.28 179.15 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.086 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -110.31 141.52 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.86 172.16 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' SER . 59.0 mt-30 -113.99 132.11 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -60.15 82.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.482 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.03 -30.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -105.4 139.99 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.68 -114.69 0.97 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.644 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 166.3 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 89.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.738 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.699 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -128.65 -162.0 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.518 ' CG1' ' HG3' ' A' ' 53' ' ' PRO . 3.2 mm -122.63 153.4 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.541 HD12 HG21 ' A' ' 10' ' ' ILE . 5.4 mm -104.7 126.24 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.916 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.543 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -116.14 127.9 55.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.439 . . . . 0.0 111.159 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -119.57 128.2 53.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.592 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.655 HG22 HD23 ' A' ' 24' ' ' LEU . 21.1 p -104.71 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.671 ' HA ' HD13 ' A' ' 25' ' ' ILE . 22.0 ptt180 -68.27 -6.6 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -104.59 19.06 21.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 70.3 m-70 65.44 44.99 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 7.0 ttt-85 -104.9 106.2 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 30.5 mt -111.79 112.39 24.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 22.0 m-85 -135.07 167.69 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.011 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -107.19 117.69 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.459 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -119.3 137.08 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.068 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 6.6 t70 -74.42 129.55 83.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 53.4 Cg_exo -52.03 -20.17 9.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -71.59 -21.06 61.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 43.9 mt-10 -69.29 131.02 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -55.23 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.498 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.681 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 13.7 p-90 -53.93 -16.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.6 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.459 HG21 ' HB1' ' A' ' 51' ' ' ALA . 49.1 t -88.06 -37.35 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -66.35 -50.31 63.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.136 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.75 -42.57 70.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.7 ' HB1' ' CD1' ' A' ' 24' ' ' LEU . . . -51.64 -41.65 61.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.757 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.8 mtm -73.79 -63.68 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -26.16 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 109.953 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.405 ' ND1' HG21 ' A' ' 21' ' ' VAL . 32.1 t-80 -75.17 -56.97 4.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -45.39 -37.97 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.891 0.377 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.8 tt -131.85 117.16 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.022 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 11' ' ' THR . 7.8 t -104.78 98.19 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.02 76.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.81 -50.57 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -119.13 -175.62 2.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.9 mmt -118.53 131.74 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -72.34 -170.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' HG13 ' A' ' 19' ' ' ILE . 9.0 m -105.17 165.88 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.534 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -57.43 134.08 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.983 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.841 HD12 ' CH2' ' A' ' 57' ' ' TRP . 3.0 mt -132.48 142.17 43.9 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.654 ' HD2' HG22 ' A' ' 19' ' ' ILE . 39.0 Cg_exo -56.21 137.12 78.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG13 ' HA ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -68.99 -23.21 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.27 -8.67 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 15.5 mt -104.65 -18.74 14.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.811 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD12 ' HB1' ' A' ' 61' ' ' ALA . 21.4 mt -78.3 149.36 33.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.601 HD11 ' CD ' ' A' ' 42' ' ' GLU . 23.8 pt -125.45 -36.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.404 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.682 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -150.71 159.92 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 111.277 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 17.8 p90 -132.63 145.25 50.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.633 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -145.22 163.28 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.17 159.56 14.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.19 161.06 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 33' ' ' SER . 51.6 mt-30 -86.65 121.37 29.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -57.09 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 163.31 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 130.75 53.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.89 -159.17 0.11 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 158.76 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 87.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.437 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -118.32 -164.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 40' ' ' ILE . 9.8 mm -126.71 153.72 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 39' ' ' ILE . 4.7 mm -108.66 121.13 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.051 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.979 HD12 ' CH2' ' A' ' 57' ' ' TRP . 12.5 mt -106.27 125.5 51.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.601 ' CD ' HD11 ' A' ' 25' ' ' ILE . 31.6 tt0 -104.71 128.8 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 24' ' ' LEU . 14.2 p -104.5 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.985 0.421 . . . . 0.0 111.161 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.548 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.6 mtm180 -63.92 -12.9 41.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -104.79 18.7 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 61.42 46.25 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.627 ' NE ' ' CZ ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.54 126.91 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.714 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 51.9 mt -108.24 111.42 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CZ ' ' NE ' ' A' ' 47' ' ' ARG . 4.8 m-85 -107.7 134.81 50.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -91.59 86.36 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.277 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.533 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -104.58 131.84 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.414 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.86 142.23 97.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 53.2 Cg_exo -54.18 -19.51 16.6 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.768 2.312 . . . . 0.0 112.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -80.22 -10.56 59.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 16.2 mt-10 -71.91 131.28 42.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.6 -58.4 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.283 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.979 ' CH2' HD12 ' A' ' 41' ' ' LEU . 3.5 p-90 -53.99 -16.67 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.475 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.533 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 74.4 t -88.14 -42.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.706 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -61.03 -51.82 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.279 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.18 -45.64 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.597 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.764 ' HB1' HD12 ' A' ' 24' ' ' LEU . . . -48.39 -37.09 16.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.559 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 13.1 mtm -75.13 -62.11 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.839 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -27.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.116 0.484 . . . . 0.0 109.938 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -75.67 -58.77 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.872 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 26' ' ' HIS . 16.0 mt -55.0 -37.48 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.813 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.764 0.316 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.591 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.0 tt -135.18 119.29 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -122.94 152.83 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.803 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 72.2 m -98.7 63.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.437 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.77 -24.99 58.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 13' ' ' SER . 4.5 tptp -147.69 -172.04 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mmt -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -89.08 -169.4 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.9 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -66.16 123.11 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.428 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 28.8 mt -123.26 136.71 27.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.585 ' HB2' HD23 ' A' ' 23' ' ' LEU . 35.3 Cg_exo -58.63 138.64 86.86 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.808 2.339 . . . . 0.0 112.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -25.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.459 ' C ' HD22 ' A' ' 23' ' ' LEU . . . -65.53 -9.24 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.585 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -104.75 -19.97 13.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 HG22 ' A' ' 43' ' ' THR . 19.7 mt -81.97 129.36 34.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.786 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.604 HD11 ' OE2' ' A' ' 42' ' ' GLU . 22.1 pt -113.58 -27.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.06 152.0 30.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.269 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 26.3 p90 -133.5 111.42 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.49 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.429 ' C ' ' HB ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER -97.46 -167.38 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.53 ' CA ' HG12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -132.17 125.46 31.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.815 ' HB2' HD11 ' A' ' 40' ' ' ILE . 8.7 t30 -62.38 129.69 41.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.445 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -50.55 133.2 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -11.96 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.21 18.53 12.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 31' ' ' GLN . 2.7 m -129.25 -153.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -48.19 -179.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.425 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -45.23 142.38 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -63.64 89.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.803 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -114.42 -156.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 9.3 mm -119.93 152.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 30' ' ' ASN . 12.3 mm -105.12 129.73 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD12 ' CH2' ' A' ' 57' ' ' TRP . 6.9 mt -122.91 117.5 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.604 ' OE2' HD11 ' A' ' 25' ' ' ILE . 22.0 tt0 -109.75 124.86 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.721 HG22 HD23 ' A' ' 24' ' ' LEU . 5.5 p -104.46 162.46 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 111.462 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.528 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 6.8 mtp85 -50.07 -19.29 0.7 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.548 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -103.58 40.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 42.91 51.26 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.611 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.621 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 6.1 ttm-85 -104.44 102.39 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD21 ' HG3' ' A' ' 42' ' ' GLU . 21.5 mt -106.63 111.03 23.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 13.3 m-85 -128.46 162.49 27.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -101.72 105.26 16.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.586 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -106.76 132.83 52.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -68.98 131.99 90.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.443 ' HG3' HG12 ' A' ' 39' ' ' ILE . 50.4 Cg_exo -53.57 -19.63 14.34 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.773 2.316 . . . . 0.0 112.245 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -74.2 -37.93 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 15.6 mt-10 -48.77 119.7 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.65 -55.85 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.357 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.603 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 20.1 p-90 -51.25 -19.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.451 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.586 HG21 ' HB1' ' A' ' 51' ' ' ALA . 78.9 t -88.36 -39.74 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -61.89 -48.56 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.399 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -73.84 -46.3 45.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.539 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -51.26 -43.04 61.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.967 0.413 . . . . 0.0 110.689 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -68.3 -56.66 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.78 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.46 -28.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 109.879 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -75.55 -50.89 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.618 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.71 -24.61 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.6 tt -132.61 93.05 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -105.35 115.14 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.595 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 63.4 m -73.94 54.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 t -75.49 -16.65 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.752 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -147.94 124.64 11.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 171.37 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -120.09 -172.32 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -113.7 155.53 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 4.0 mt -145.48 136.41 12.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.436 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 51.6 Cg_exo -52.8 116.48 2.92 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.722 2.281 . . . . 0.0 112.488 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 HD12 ' A' ' 24' ' ' LEU . 5.5 p -60.07 -14.97 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.762 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.64 -12.9 61.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -104.44 -12.17 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.791 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 HG22 ' A' ' 43' ' ' THR . 67.2 mt -79.99 124.07 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.724 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.592 HG21 ' HB3' ' A' ' 44' ' ' ARG . 20.5 pt -109.36 -28.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.26 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.05 141.57 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -113.05 163.57 14.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.508 ' CB ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -141.82 -159.56 0.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.08 127.34 16.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.64 167.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.39 156.19 19.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -6.79 41.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.44 4.74 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' GLY . 9.1 m -116.23 -162.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.831 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -56.77 -150.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.39 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.15 89.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -112.99 -153.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.508 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.5 mm -119.4 150.67 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.067 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.508 ' HB ' ' CB ' ' A' ' 28' ' ' GLN . 14.4 mm -104.88 132.61 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.646 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 52.6 mt -117.88 114.42 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HA ' HD23 ' A' ' 48' ' ' LEU . 29.1 tt0 -110.88 125.58 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.672 HG22 HD23 ' A' ' 24' ' ' LEU . 28.7 p -104.69 166.69 10.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.592 ' HB3' HG21 ' A' ' 25' ' ' ILE . 14.5 ptp180 -63.35 -11.9 26.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.963 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 26.86 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 57.73 48.46 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.53 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 5.4 ttm-85 -104.76 105.74 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 42' ' ' GLU . 79.3 mt -110.83 104.01 12.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.749 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 37.3 m-85 -122.82 162.0 22.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -101.46 120.91 41.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.485 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -125.67 131.49 52.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.32 129.74 83.64 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.508 ' HG3' HG12 ' A' ' 39' ' ' ILE . 36.9 Cg_exo -56.94 -14.7 14.86 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.822 2.348 . . . . 0.0 112.207 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' O ' ' CE ' ' A' ' 59' ' ' LYS . 25.1 mtmt -70.26 -28.23 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -74.31 133.7 42.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.707 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.535 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.11 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.484 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 p-90 -46.87 -22.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.221 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 95.9 t -88.08 -48.7 14.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 54' ' ' LYS . 44.7 mttt -61.81 -40.47 95.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.893 0.378 . . . . 0.0 110.227 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.59 -42.39 61.62 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.821 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.6 -46.73 58.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 64.4 mtm -68.52 -55.42 11.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.688 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -52.34 -21.31 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 109.841 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -74.67 -58.87 3.01 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.806 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.64 -22.01 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.684 ' OD1' HG22 ' A' ' 10' ' ' ILE . 13.7 p30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.684 HG22 ' OD1' ' A' ' 9' ' ' ASN . 5.9 tt -133.59 107.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -105.98 137.1 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 89.3 m -76.82 84.33 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -75.17 -52.76 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 -176.86 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.753 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.404 ' SD ' ' CG ' ' A' ' 52' ' ' ASP . 8.3 mmt -113.24 131.94 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -78.52 -172.09 2.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.15 176.21 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD3' ' HB3' ' A' ' 57' ' ' TRP . 1.6 ttpm? -65.7 77.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 20' ' ' PRO . 30.6 mt -69.59 140.59 89.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 19' ' ' ILE . 14.8 Cg_endo -56.91 134.17 62.73 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.892 2.395 . . . . 0.0 112.236 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.578 HG13 HD12 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.53 -22.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.88 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' A' ' 43' ' ' THR . 10.0 mt -104.47 -24.81 12.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD23 HG22 ' A' ' 43' ' ' THR . 21.3 mt -73.13 142.92 47.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.604 HG21 ' HG2' ' A' ' 44' ' ' ARG . 10.5 pt -129.63 -36.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.372 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -154.58 146.72 23.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 22.4 p90 -128.73 152.77 48.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.67 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.429 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -142.57 167.18 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.033 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 170.5 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -111.17 147.87 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.54 141.61 42.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.18 24.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -106.87 19.86 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 m -104.63 -86.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.66 -123.38 1.21 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 34.9 mttt -70.37 145.7 50.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -72.87 84.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.675 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.633 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -127.64 -171.28 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 40' ' ' ILE . 3.4 mm -112.11 158.31 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.514 ' N ' HG22 ' A' ' 39' ' ' ILE . 16.1 mm -107.67 129.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.634 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 45.0 mt -118.18 123.61 45.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 37.3 tt0 -110.94 128.69 55.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.59 HG22 HD23 ' A' ' 24' ' ' LEU . 20.1 p -104.31 164.93 11.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.249 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 25' ' ' ILE . 65.4 mtm180 -56.4 -16.6 6.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -104.43 34.72 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 48.75 51.48 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.605 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 12.0 ttm-85 -104.54 107.76 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.752 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.2 mt -105.64 111.64 24.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.605 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 17.8 m-85 -131.19 146.74 52.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.9 m -88.53 107.11 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.715 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -107.25 112.36 25.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 0.4 OUTLIER -56.35 131.21 75.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 51.3 Cg_exo -53.82 -42.98 62.01 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.764 2.309 . . . . 0.0 112.229 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -23.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.78 128.76 36.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.773 HE22 ' HB2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -59.04 -50.94 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.376 -179.583 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.634 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 2.5 p-90 -46.9 -23.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.232 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.715 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 73.1 t -88.76 -46.62 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.06 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 18.6 mttm -59.27 -43.36 92.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.381 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.773 ' HB2' HE22 ' A' ' 56' ' ' GLN . 1.7 m-20 -75.62 -48.76 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.469 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -52.86 -41.16 64.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.067 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.529 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.8 mtm -70.54 -55.19 9.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -44.69 -28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 109.935 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -75.51 -59.4 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.65 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 25' ' ' ILE . 39.2 mt -48.89 -39.55 26.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.981 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.887 0.375 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.0 tt -135.06 118.56 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.17 136.75 44.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.1 m -90.5 70.7 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -69.39 -39.24 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.98 179.35 6.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 38' ' ' ALA . 16.2 mmt -119.5 140.57 50.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 17' ' ' SER . 3.9 t -87.18 -169.2 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 16' ' ' THR . 0.1 OUTLIER -104.88 -172.83 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -74.54 140.82 44.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.649 HD12 ' CH2' ' A' ' 57' ' ' TRP . 4.9 mt -138.75 142.09 32.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.323 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HD2' HG22 ' A' ' 19' ' ' ILE . 52.9 Cg_exo -53.49 116.01 2.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.57 -21.3 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.977 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.22 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.71 -5.17 21.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 41' ' ' LEU . 44.7 mt -85.23 141.77 29.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.619 HD11 ' HG2' ' A' ' 42' ' ' GLU . 18.4 pt -116.84 -29.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 25' ' ' ILE . 19.9 m80 -159.36 158.18 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HD2' HD13 ' A' ' 65' ' ' LEU . 16.2 p90 -132.52 134.79 45.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.688 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 170.34 10.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -112.76 145.91 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -79.94 161.68 25.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -102.3 133.85 46.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.39 82.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -178.99 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.11 131.61 52.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.74 -159.63 48.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.347 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.63 157.87 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -65.2 88.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 15' ' ' MET . . . -128.23 -168.8 1.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.48 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.9 mm -119.29 151.45 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.2 mm -105.01 133.17 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.595 HD12 ' CH2' ' A' ' 57' ' ' TRP . 86.7 mt -124.35 128.73 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.619 ' HG2' HD11 ' A' ' 25' ' ' ILE . 53.2 tt0 -110.85 130.56 55.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.483 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.833 HG21 HH11 ' A' ' 47' ' ' ARG . 74.0 p -104.79 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.367 . . . . 0.0 111.345 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 29.8 mtm180 -67.23 -7.95 27.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.799 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -104.22 20.88 17.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 53.89 37.33 26.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.597 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.833 HH11 HG21 ' A' ' 43' ' ' THR . 2.6 ttm180 -104.54 118.48 36.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.239 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 9.9 mt -104.9 131.25 52.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 3.4 m-85 -134.83 151.02 50.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -99.63 99.92 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB1' ' OE1' ' A' ' 55' ' ' GLU . . . -105.72 123.5 48.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 2.5 t70 -61.42 136.39 94.27 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 48.2 Cg_exo -55.56 -17.89 18.48 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.696 2.264 . . . . 0.0 112.17 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 52.3 mttt -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' OE1' ' HB1' ' A' ' 51' ' ' ALA . 26.7 mt-10 -69.05 132.79 47.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.182 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.649 ' CH2' HD12 ' A' ' 19' ' ' ILE . 4.2 p-90 -52.18 -18.85 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' HB1' ' A' ' 51' ' ' ALA . 79.9 t -88.29 -32.16 5.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.945 0.402 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 54' ' ' LYS . 16.4 mttp -69.02 -54.35 15.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.077 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -68.19 -43.72 77.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.57 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -52.06 -44.66 64.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.982 0.42 . . . . 0.0 110.549 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.423 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 37.6 mtm -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -44.87 -27.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.084 0.469 . . . . 0.0 109.96 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.39 -63.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD13 ' HD2' ' A' ' 27' ' ' TYR . 11.9 mt -55.73 -17.74 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 62' ' ' MET . 35.4 m-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.799 0.333 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.3 tt -134.45 112.51 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.462 ' OG1' ' HA3' ' A' ' 35' ' ' GLY . 1.2 t -118.04 130.97 56.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 10.9 m -72.72 78.03 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -72.42 -21.78 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.795 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 -176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.78 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.2 mmt -102.24 161.88 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.991 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.549 ' HG1' ' HD2' ' A' ' 49' ' ' PHE . 5.3 t -110.58 -167.5 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.96 163.69 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -58.5 134.34 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.58 HG23 ' HD2' ' A' ' 20' ' ' PRO . 58.5 mt -130.17 146.25 60.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.58 ' HD2' HG23 ' A' ' 19' ' ' ILE . 16.1 Cg_exo -66.29 138.05 49.72 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.657 2.238 . . . . 0.0 112.19 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.32 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -16.64 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.548 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.5 mm? -104.51 -18.01 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.642 HD12 ' HB1' ' A' ' 61' ' ' ALA . 12.0 mt -74.44 128.83 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.617 HD13 ' HA ' ' A' ' 44' ' ' ARG . 29.5 pt -122.72 -31.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.07 146.09 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB3' HD12 ' A' ' 65' ' ' LEU . 12.9 p90 -121.42 157.71 29.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.733 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -147.69 -156.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' CA ' HG12 ' A' ' 40' ' ' ILE . 2.9 tt0 -150.37 149.8 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -69.35 153.75 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 45.2 mm-40 -78.02 152.37 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.29 -7.2 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 p -131.2 35.31 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 31' ' ' GLN . 48.2 t -119.79 -71.38 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA3' ' OG1' ' A' ' 11' ' ' THR . . . -141.39 -116.7 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.765 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 78.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.513 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -122.57 -174.48 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.56 146.97 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.467 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 5.9 mm -104.93 141.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 56.4 mt -124.21 130.33 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 56.1 tt0 -120.67 126.72 50.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.607 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.534 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 14.8 p -104.46 164.88 11.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.617 ' HA ' HD13 ' A' ' 25' ' ' ILE . 1.9 ptt180 -62.02 -11.87 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -104.09 27.96 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.681 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 55.72 47.8 19.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 3.8 ttt85 -104.59 111.48 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 22.1 mt -111.08 116.94 31.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.612 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 11.8 m-85 -134.55 170.49 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.37 110.28 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.26 143.3 45.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 133.13 92.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.789 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.81 -14.12 20.94 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.841 2.36 . . . . 0.0 112.257 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.77 -34.5 39.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.3 mt-10 -47.86 134.97 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -56.36 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.251 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 6.8 p-90 -54.47 -17.16 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.48 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.567 ' O ' ' HE2' ' A' ' 62' ' ' MET . 54.3 t -88.23 -29.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.969 0.414 . . . . 0.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -72.85 -52.61 14.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.043 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.09 -43.81 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.262 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 24' ' ' LEU . . . -53.39 -49.64 66.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 110.423 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.567 ' HE2' ' O ' ' A' ' 58' ' ' VAL . 44.1 mtm -67.72 -57.37 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.534 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -44.78 -27.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -75.42 -48.71 21.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.382 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 27' ' ' TYR . 88.6 mt -60.43 -40.49 91.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.775 0.321 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.9 tt -134.18 111.56 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 11' ' ' THR . 6.7 t -107.04 118.99 38.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' SG ' ' ND2' ' A' ' 30' ' ' ASN . 85.7 m -78.76 73.24 5.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -48.9 28.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.67 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.24 -178.46 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.6 mmt -114.66 127.46 55.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -70.02 -170.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 19' ' ' ILE . 85.1 p -109.13 168.62 9.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 19' ' ' ILE . 9.1 tptp -42.76 144.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.481 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 22.2 mt -140.96 133.57 14.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -50.91 112.29 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -53.19 -24.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.001 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.25 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.634 HD23 ' NH1' ' A' ' 44' ' ' ARG . 13.5 mt -104.56 -19.68 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 HG22 ' A' ' 43' ' ' THR . 33.3 mt -76.99 134.53 38.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 44' ' ' ARG . 13.0 pt -122.69 -30.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.449 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.463 ' HB2' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -146.85 150.13 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 111.186 -179.754 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -131.93 131.83 43.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.7 174.02 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.037 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.09 145.16 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.729 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.456 ' ND2' ' SG ' ' A' ' 12' ' ' CYS . 27.5 t-20 -78.46 162.33 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -101.73 151.6 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.24 -0.56 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.73 -13.18 14.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.64 119.36 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 41.35 -146.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 146.88 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -65.1 86.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.56 -161.13 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.445 HG12 ' HG3' ' A' ' 53' ' ' PRO . 6.9 mm -110.45 148.21 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.274 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.3 mm -105.17 123.95 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.798 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -112.62 116.61 30.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 1.4 tt0 -111.7 128.22 56.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.77 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.752 HG22 HD23 ' A' ' 24' ' ' LEU . 14.2 p -104.29 164.43 11.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.649 ' HA ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -55.18 -16.24 2.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -104.0 35.07 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 48.8 50.99 16.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 9.0 ttm-85 -104.85 99.02 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -105.28 113.24 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.4 m-85 -130.47 145.21 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.1 m -87.47 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.99 142.8 40.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.78 132.23 55.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HG3' HG12 ' A' ' 39' ' ' ILE . 67.7 Cg_exo -50.96 -47.11 27.08 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.79 2.327 . . . . 0.0 112.366 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.36 -37.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.76 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.754 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.18 -50.6 73.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.37 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.798 ' CH2' HD12 ' A' ' 41' ' ' LEU . 11.4 p-90 -50.87 -20.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 110.964 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 62' ' ' MET . 77.1 t -88.47 -44.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.76 -43.63 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.256 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' CB ' HE22 ' A' ' 56' ' ' GLN . 0.5 OUTLIER -73.83 -43.66 58.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.925 179.38 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -43.69 50.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 37.2 mtm -68.63 -51.36 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.535 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -44.79 -29.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.061 0.458 . . . . 0.0 109.959 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -75.43 -59.05 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.737 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 65' ' ' LEU . 8.5 mt -48.6 -39.52 24.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.021 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.819 0.343 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.468 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 4.8 mm-40 -83.59 -48.18 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.468 ' CG ' ' C ' ' A' ' 1' ' ' GLN . 1.3 m80 -157.83 -53.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -126.98 140.4 52.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.1 116.5 4.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 5' ' ' VAL . 30.0 m -117.62 52.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 -163.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 170.9 101.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB3' ' OG1' ' A' ' 11' ' ' THR . 2.1 t 63.81 131.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' OD1' HG22 ' A' ' 10' ' ' ILE . 1.5 p30 -50.7 -43.89 57.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -132.16 95.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 8' ' ' CYS . 1.2 m -104.73 125.32 50.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 31.6 m -81.19 75.88 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -66.47 -35.24 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.417 . . . . 0.0 110.621 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 13' ' ' SER . 6.6 mmtp -145.4 -172.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.35 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 t -91.53 -171.62 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.23 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HE3' ' HB2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -63.93 137.68 58.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 12.7 mt -141.17 140.53 21.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HB2' HD23 ' A' ' 23' ' ' LEU . 41.0 Cg_exo -55.61 122.32 11.52 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.768 2.312 . . . . 0.0 112.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.87 -22.11 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.69 -5.94 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.214 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -104.75 -13.72 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 HG22 ' A' ' 43' ' ' THR . 22.9 mt -82.89 142.94 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 44' ' ' ARG . 23.9 pt -123.16 -34.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.402 ' N ' HG13 ' A' ' 25' ' ' ILE . 20.8 m-70 -150.86 152.65 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.5 p90 -133.23 121.03 21.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -101.1 -169.12 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.1 140.93 50.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -62.99 139.62 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.22 137.76 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.38 -10.27 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -117.88 20.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.68 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.58 -79.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.91 -145.83 4.21 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.429 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 18.4 mmtt -57.72 130.42 46.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.18 88.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.94 -152.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 4.1 mm -122.36 148.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.431 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.9 mm -104.91 122.85 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.628 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 82.3 mt -111.09 120.97 44.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.275 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.513 ' HA ' HD23 ' A' ' 48' ' ' LEU . 83.9 tt0 -112.81 125.12 54.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.436 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 HD23 ' A' ' 24' ' ' LEU . 20.6 p -104.6 164.08 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 111.165 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.566 ' HA ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -60.15 -13.07 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.998 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.431 ' OE1' ' NH2' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -104.47 30.63 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 54.38 48.35 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HB3' HG23 ' A' ' 43' ' ' THR . 10.3 ttm-85 -104.84 104.11 13.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 42' ' ' GLU . 12.5 mt -107.02 96.99 6.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CE2' ' HD3' ' A' ' 47' ' ' ARG . 27.9 m-85 -114.31 165.43 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 7.0 m -113.47 106.67 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.51 146.66 32.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -77.99 134.11 64.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.23 -27.64 31.01 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.781 2.321 . . . . 0.0 112.385 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.13 -39.67 94.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 13.7 mt-10 -48.54 128.27 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -58.83 -53.69 55.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.378 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.752 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 7.4 p-90 -50.54 -20.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.959 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 62' ' ' MET . 75.4 t -88.31 -42.68 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.474 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 13.9 mttt -55.96 -54.91 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.854 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.54 -43.28 77.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.348 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -39.62 41.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 64.2 mtm -71.18 -58.27 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.698 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -49.29 -23.07 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.015 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -74.99 -61.96 1.71 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.915 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 65' ' ' LEU . 7.7 mt -56.06 -18.13 8.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.27 -27.52 68.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.665 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.54 20.86 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 65' ' ' LEU . 1.9 mp0 -113.47 -58.89 2.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.3 -53.05 11.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.15 -54.07 14.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 73' ' ' THR . . . -48.43 169.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 72' ' ' LEU . 3.0 mm? 58.49 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 71' ' ' ALA . 2.8 t -113.07 113.56 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.93 47.69 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.93 64.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.783 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.569 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.475 ' O ' ' HG3' ' A' ' 1' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.923 0.392 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 0' ' ' MET . 0.3 OUTLIER 36.22 40.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.42 -63.39 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.73 56.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.9 167.52 16.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 5' ' ' VAL . 29.8 m -113.53 53.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.085 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.06 -162.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.953 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 176.96 45.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -136.46 88.42 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.617 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' CYS . 6.9 p30 -33.11 -45.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.368 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tt -129.34 139.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -126.67 129.42 48.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 96.2 m -77.0 80.94 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.467 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 11.9 t -73.08 -45.11 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' A' ' 13' ' ' SER . 8.2 mmpt? -143.12 -172.88 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.784 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -108.75 162.26 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -110.95 -168.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.23 146.76 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.587 HG22 ' HD2' ' A' ' 20' ' ' PRO . 6.8 mt -148.8 142.67 16.37 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.69 ' HB2' HD23 ' A' ' 23' ' ' LEU . 37.4 Cg_exo -58.76 128.76 29.28 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.406 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.01 -20.72 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' C ' HD22 ' A' ' 23' ' ' LEU . . . -68.49 -6.47 25.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.161 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.69 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -104.47 -16.63 15.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.661 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 41' ' ' LEU . 71.0 mt -81.28 139.4 35.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' A' ' 44' ' ' ARG . 30.5 pt -122.73 -34.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.535 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 25' ' ' ILE . 7.1 m80 -149.28 150.2 32.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 1.5 p90 -135.08 140.99 45.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.687 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.482 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -131.64 162.82 29.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.072 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 122.54 36.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -42.1 133.04 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' SER . 23.1 mt-30 -65.52 111.83 3.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 81.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' GLN . 25.2 p 176.3 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.03 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 145.48 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.71 -167.43 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.4 156.07 19.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 85.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -124.23 -157.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 3.5 mm -124.02 148.91 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.194 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.482 ' HB ' ' HG2' ' A' ' 28' ' ' GLN . 20.6 mm -104.68 118.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.886 HD12 ' CH2' ' A' ' 57' ' ' TRP . 14.3 mt -105.23 128.79 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.272 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 23.0 tt0 -120.57 131.8 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.576 ' CG2' ' CG ' ' A' ' 47' ' ' ARG . 47.7 p -105.04 171.9 7.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 111.406 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' HB3' HG21 ' A' ' 25' ' ' ILE . 6.7 ptp180 -75.01 0.66 15.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.98 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 46' ' ' HIS . 6.1 mt-30 -104.23 -3.4 24.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 9.4 m-70 86.21 35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.529 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.647 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.88 142.42 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.608 179.441 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 47' ' ' ARG . 7.6 mt -131.86 116.34 17.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CE1' ' HD3' ' A' ' 47' ' ' ARG . 7.5 m-85 -133.59 129.67 37.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -76.52 105.55 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.572 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -107.2 130.04 54.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -75.96 137.42 69.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 50.6 Cg_exo -53.18 -21.69 17.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -24.22 66.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HB2' HG23 ' A' ' 58' ' ' VAL . 24.0 mt-10 -70.84 130.36 41.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -58.04 -54.98 40.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.886 ' CH2' HD12 ' A' ' 41' ' ' LEU . 7.3 p-90 -51.61 -19.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.509 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.572 HG21 ' HB1' ' A' ' 51' ' ' ALA . 99.8 t -88.39 -42.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 37.1 mttm -59.37 -49.55 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.402 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -72.29 -46.27 56.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -48.43 -39.63 23.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mtm -73.31 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.681 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 9.6 tt0 -45.0 -26.41 0.42 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -75.18 -51.14 14.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 mt -65.21 -23.49 67.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -73.19 -52.18 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 63' ' ' GLN . 15.4 mmt180 -83.95 53.96 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.52 -80.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.8 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.45 -36.4 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.009 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.23 -25.12 59.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -8.73 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -113.49 -78.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.4 t -129.51 130.93 46.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.66 44.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -120.15 94.64 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.896 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' ASN . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.437 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.527 ' HA ' HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.834 0.35 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 3' ' ' HIS . 0.8 OUTLIER 57.87 -157.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.68 95.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 1' ' ' GLN . 0.2 OUTLIER 173.34 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.34 99.95 2.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.548 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.527 HG21 ' HA ' ' A' ' 0' ' ' MET . 99.0 t -114.09 105.16 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.718 0.294 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.7 -12.67 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.121 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptt 51.66 47.34 24.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.787 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' ILE . 29.9 p -132.58 81.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' CYS . 5.0 p-10 -34.38 -34.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -134.98 117.11 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' THR . 12.0 t -110.18 122.97 48.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.84 63.46 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.03 -177.75 5.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.82 145.42 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -92.45 -175.13 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.474 ' O ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.84 175.94 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -54.03 148.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.532 HD13 HH11 ' A' ' 47' ' ' ARG . 18.4 mt -148.78 137.77 12.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 41.6 Cg_exo -55.56 132.03 49.7 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.823 2.349 . . . . 0.0 112.356 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.492 HG11 ' HB3' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -68.91 -22.75 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -12.15 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 22.0 mt -104.93 -20.15 13.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 41' ' ' LEU . 16.6 mt -75.93 136.38 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.574 HD11 ' HG2' ' A' ' 42' ' ' GLU . 23.1 pt -106.65 -41.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -161.25 164.05 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.023 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 5.1 p90 -130.57 147.12 52.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.532 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -120.62 -166.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.46 100.76 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.495 ' OD1' HG23 ' A' ' 10' ' ' ILE . 35.3 t30 -43.24 137.5 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -66.23 122.96 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 84.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 p -173.51 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.93 132.05 54.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.753 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -117.88 12.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -130.2 150.76 51.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 85.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.2 -166.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mm -107.84 152.61 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.532 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.0 mm -104.98 129.2 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.645 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 58.4 mt -118.39 117.4 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.597 ' HG3' HD21 ' A' ' 48' ' ' LEU . 46.1 tt0 -111.82 126.86 55.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.554 HG23 ' HB3' ' A' ' 47' ' ' ARG . 19.6 p -104.23 163.74 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.976 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -14.11 5.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -104.04 33.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.601 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 51.01 49.84 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HB3' HG23 ' A' ' 43' ' ' THR . 6.9 ttm180 -104.55 103.21 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.597 HD21 ' HG3' ' A' ' 42' ' ' GLU . 19.1 mt -107.48 105.01 14.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 35.4 m-85 -122.14 151.09 41.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.42 100.88 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.25 125.64 51.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 135.65 95.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 35.5 Cg_endo -64.43 -6.97 12.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.867 2.378 . . . . 0.0 112.434 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -14.55 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB2' HG23 ' A' ' 58' ' ' VAL . 26.5 mt-10 -82.33 132.28 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.6 -49.3 78.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.335 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.648 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.3 p-90 -50.65 -20.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.009 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.522 HG23 ' HB2' ' A' ' 55' ' ' GLU . 59.3 t -88.47 -43.33 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.794 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 49.6 mttt -66.95 -40.91 87.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.251 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CB ' HE22 ' A' ' 56' ' ' GLN . 1.3 m-20 -74.17 -42.94 59.11 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.029 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.81 -46.64 59.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.501 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.4 mtm -67.07 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.524 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -45.01 -28.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.492 ' HB3' HG11 ' A' ' 21' ' ' VAL . 24.4 t-80 -75.64 -52.09 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.476 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 86.3 mt -57.52 -25.23 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -72.22 -5.09 33.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -112.72 26.22 10.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -127.13 -69.91 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.057 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.13 -19.86 64.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 71' ' ' ALA . . . -46.48 -38.25 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' THR . . . -48.48 -176.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 72' ' ' LEU . 4.3 mm? 54.0 -83.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 73' ' ' THR . 9.0 t -125.23 91.95 3.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' THR . 0.6 OUTLIER -36.36 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.53 80.01 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.525 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.9 mtp . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.893 0.378 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.54 150.56 36.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' HIS . 14.5 p80 -73.31 140.52 46.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 2' ' ' HIS . 55.8 m80 65.38 42.62 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.93 87.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.584 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 5' ' ' VAL . 27.2 m -109.87 78.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 111.094 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 t -114.68 -1.8 13.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.6 91.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.723 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER 72.24 110.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -34.24 -34.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.005 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' CYS . 6.2 tt -135.09 129.21 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -125.22 171.08 10.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 77.3 m -109.21 33.72 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 21.1 t -59.22 88.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' SER . 13.1 tptt 85.7 150.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.764 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.0 mmt -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -75.78 -168.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -105.35 -173.49 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.01 143.02 49.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.6 mt -145.27 137.13 13.02 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 37.3 Cg_endo -67.0 124.5 12.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.262 . . . . 0.0 112.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 p -52.78 -24.45 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.66 -11.81 28.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -104.98 -19.1 13.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD23 HG22 ' A' ' 43' ' ' THR . 12.1 mt -73.05 126.93 31.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 44' ' ' ARG . 32.8 pt -106.71 -28.14 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 142.53 16.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 20.2 p90 -120.35 105.88 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -93.76 -175.46 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 138.63 53.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.787 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.804 ' HA ' HD11 ' A' ' 40' ' ' ILE . 9.8 t30 -58.41 142.04 49.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.99 128.29 34.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -65.45 82.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 163.64 -24.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.2 m -108.96 146.9 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 35.95 -147.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.573 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 153.65 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.707 0.289 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 76.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.66 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -113.24 -167.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.0 mm -106.88 153.53 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.205 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.804 HD11 ' HA ' ' A' ' 30' ' ' ASN . 2.4 mm -104.85 127.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.694 HD12 ' CH2' ' A' ' 57' ' ' TRP . 7.6 mt -114.14 121.37 43.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 63.8 tt0 -116.01 126.53 53.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.699 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.593 HG22 HD23 ' A' ' 24' ' ' LEU . 24.3 p -104.64 166.26 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.564 ' HA ' HD13 ' A' ' 25' ' ' ILE . 8.0 ptm180 -66.13 -8.52 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -104.18 22.42 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.781 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 62.8 46.42 5.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.649 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 4.8 ttm-85 -104.44 102.31 11.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 2.2 mt -109.86 109.11 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.649 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.2 m-85 -133.81 -179.83 5.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 2.4 m -117.56 116.12 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.528 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -108.81 159.09 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -90.6 126.32 56.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 51.3 Cg_exo -53.57 -19.69 14.45 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 4.3 mmtp -79.35 -20.67 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -62.2 129.39 40.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -57.36 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.234 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.694 ' CH2' HD12 ' A' ' 41' ' ' LEU . 20.7 p-90 -53.54 -19.16 3.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.522 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG21 ' HB1' ' A' ' 51' ' ' ALA . 71.2 t -88.27 -35.91 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 53.5 mttt -66.84 -51.7 52.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 110.046 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -69.03 -46.57 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.223 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -47.74 -47.26 30.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.0 110.349 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.9 mtm -70.54 -57.67 4.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.512 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.56 -26.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 109.899 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 61' ' ' ALA . 6.7 t60 -74.52 -56.25 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.96 -35.26 74.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -73.76 -39.53 64.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.67 46.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.636 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -142.76 -65.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.74 -12.91 61.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.48 -51.17 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.37 -17.7 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 68' ' ' GLN . 4.5 mm? -92.81 -28.56 16.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 t -174.61 81.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -44.09 -68.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -120.41 113.02 19.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.973 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.509 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.766 0.317 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 51.19 44.45 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER 172.11 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' HIS . 0.8 OUTLIER -33.08 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.06 166.35 30.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.706 ' O ' HG22 ' A' ' 5' ' ' VAL . 6.8 p -109.31 53.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.75 133.87 53.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 171.25 43.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 8.1 p -63.04 151.37 40.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.954 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -34.74 -40.77 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.951 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' ILE . 4.6 tt -132.2 90.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -104.9 135.12 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 20.7 m -90.77 59.1 4.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.99 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -75.13 -12.9 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.01 153.21 33.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 132.95 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 17' ' ' SER . 3.5 t -73.54 -169.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 16' ' ' THR . 0.7 OUTLIER -104.85 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -78.24 111.96 14.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 13.2 mt -111.93 138.65 21.73 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 19.4 Cg_endo -58.31 125.23 17.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.835 2.357 . . . . 0.0 112.255 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 24' ' ' LEU . 1.5 t -59.78 -21.78 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.2 -16.59 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.72 -26.85 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 21' ' ' VAL . 17.4 mt -58.22 130.46 46.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.634 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.535 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 8.8 pt -112.37 -36.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.5 m-70 -151.25 155.35 38.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.008 0.432 . . . . 0.0 111.378 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.891 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.4 p90 -135.15 139.96 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.64 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.85 172.01 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.87 0.367 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.6 tt0 -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' CB ' ' A' ' 34' ' ' CYS . 40.7 t-20 -36.92 129.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -49.17 152.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -75.39 54.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.9 p 159.43 42.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -116.16 -74.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.18 -128.32 2.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -87.53 178.06 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.842 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 64.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -110.57 -175.57 2.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.571 HG22 ' N ' ' A' ' 40' ' ' ILE . 4.5 mm -114.82 161.94 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.571 ' N ' HG22 ' A' ' 39' ' ' ILE . 11.0 mm -111.68 127.72 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.714 HD12 ' CH2' ' A' ' 57' ' ' TRP . 15.3 mt -117.47 131.85 56.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 29.9 tt0 -124.96 123.72 40.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.767 HG23 ' HB3' ' A' ' 47' ' ' ARG . 1.8 p -105.0 161.18 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.058 0.456 . . . . 0.0 111.553 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -56.63 -13.79 2.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.669 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -103.92 33.11 3.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 52.59 47.77 23.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HB3' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -104.5 100.52 10.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.709 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 ' CD2' ' HB2' ' A' ' 42' ' ' GLU . 15.2 mt -104.93 93.65 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 3.2 m-85 -123.25 153.04 40.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 56.1 m -91.94 129.99 37.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.615 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -123.84 135.95 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.98 127.57 91.55 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HG3' HG12 ' A' ' 39' ' ' ILE . 51.6 Cg_exo -54.13 -22.42 25.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.782 2.321 . . . . 0.0 112.203 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.95 -10.83 59.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 40.0 mt-10 -76.39 133.24 39.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -55.25 -61.14 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.159 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.744 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.5 p-90 -51.53 -18.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.759 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.615 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 57.5 t -87.86 -45.42 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.12 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 22.8 mttm -56.74 -52.34 65.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.011 0.434 . . . . 0.0 110.146 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.35 -47.42 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -44.97 -40.85 6.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.018 0.437 . . . . 0.0 110.301 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.0 mtm -69.61 -55.85 8.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -45.86 -26.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.025 0.441 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -75.85 -54.8 6.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.585 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.891 HD12 ' HB3' ' A' ' 27' ' ' TYR . 4.6 mt -60.44 -29.98 69.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.93 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' CE1' ' A' ' 27' ' ' TYR . 31.0 m-20 -69.49 -43.88 72.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -85.82 15.04 5.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -92.77 -59.7 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.52 -35.22 28.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.69 -41.61 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.462 ' C ' HD22 ' A' ' 72' ' ' LEU . . . -61.27 -13.01 15.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.571 ' C ' HG23 ' A' ' 73' ' ' THR . 2.7 mm? -104.88 8.88 34.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.571 HG23 ' C ' ' A' ' 72' ' ' LEU . 1.4 p 73.5 29.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER 39.72 -93.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' THR . 0.8 OUTLIER -135.13 14.46 3.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.882 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.431 ' OXT' ' HB ' ' A' ' 73' ' ' THR . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.417 ' HA ' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 63.75 125.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -44.7 -46.6 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -83.05 103.87 12.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.42 177.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.611 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.71 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.3 p -125.99 104.2 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 0.0 111.171 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.09 -169.49 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.823 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.96 49.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' ' OG1' ' A' ' 11' ' ' THR . 1.2 m -100.3 114.83 28.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -36.09 -41.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.775 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.3 tt -133.96 95.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.375 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.4 m -104.95 103.89 13.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.412 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.6 m -68.72 82.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.336 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -75.41 -19.33 59.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.542 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 -178.53 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.584 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.75 152.49 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 17' ' ' SER . 1.8 t -91.91 -169.94 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 16' ' ' THR . 10.5 p -104.82 174.27 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.781 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -71.2 122.1 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.452 ' O ' ' CE3' ' A' ' 57' ' ' TRP . 16.6 mt -121.07 137.72 27.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -56.06 128.47 30.34 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.77 2.313 . . . . 0.0 112.421 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.826 ' HA ' HD12 ' A' ' 24' ' ' LEU . 8.9 p -64.93 -23.6 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -12.58 19.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -104.69 -21.87 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -73.47 142.87 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 44' ' ' ARG . 44.2 pt -122.75 -26.75 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.453 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.478 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -161.09 147.19 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 39.7 p90 -119.57 124.94 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.523 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -103.87 -177.09 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.97 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' C ' HG12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -120.42 153.08 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 8.1 t-20 -86.68 150.34 24.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.49 ' OE1' ' N ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -76.8 149.04 36.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.03 45.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.193 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.1 p -131.5 37.94 3.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 11' ' ' THR . 30.7 m -135.24 45.59 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.8 -138.52 13.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 128.29 34.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.318 . . . . 0.0 110.841 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 89.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' ASN . . . -123.58 -162.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 13.9 mm -112.49 154.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.523 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 10.0 mm -105.03 142.9 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 29.3 mt -125.71 116.71 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 61.4 tt0 -112.73 124.02 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.569 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.642 HG22 HD23 ' A' ' 24' ' ' LEU . 20.3 p -104.95 164.63 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.381 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 25' ' ' ILE . 13.7 ptp180 -60.04 -13.56 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.2 30.81 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 53.85 49.25 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 10.4 ttt-85 -104.74 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 43.9 mt -110.09 110.63 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.777 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.6 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 21.5 m-85 -133.12 155.65 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.8 m -96.49 99.79 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.712 ' HB1' ' OE1' ' A' ' 55' ' ' GLU . . . -105.31 140.26 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.001 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.95 139.56 85.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.36 -11.56 30.81 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.864 2.376 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -18.67 56.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.712 ' OE1' ' HB1' ' A' ' 51' ' ' ALA . 62.3 mt-10 -67.43 129.79 41.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.494 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -56.74 -57.96 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.096 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.703 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 11.3 p-90 -50.57 -17.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.004 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.536 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 93.4 t -88.01 -38.08 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.416 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 44.9 mttt -64.41 -48.53 75.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.873 0.368 . . . . 0.0 110.201 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -72.68 -44.67 61.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.217 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -47.98 -39.65 20.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.55 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 35.8 mtm -71.49 -61.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -44.75 -27.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.766 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 68' ' ' GLN . 32.8 t-80 -73.03 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.58 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 26' ' ' HIS . 25.0 mt -65.79 -29.32 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.05 -61.3 2.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.64 51.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.773 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.475 ' HB3' ' O ' ' A' ' 64' ' ' HIS . 9.8 tt0 -151.03 -55.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.813 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.73 87.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 74' ' ' ARG . . . -71.61 -36.52 70.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.08 -12.98 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.658 HD23 ' CG2' ' A' ' 73' ' ' THR . 0.4 OUTLIER -115.25 -47.08 2.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.95 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.658 ' CG2' HD23 ' A' ' 72' ' ' LEU . 2.6 p -137.1 91.46 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 70' ' ' ALA . 3.2 mtt180 -66.82 102.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -127.05 -59.64 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.528 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.826 0.346 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -80.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 17.7 p-80 -104.09 -42.27 5.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -36.8 -34.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.7 139.94 8.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.551 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.4 p -115.88 86.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 t -117.13 -20.98 9.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.81 46.83 6.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ASN . 5.3 m -120.19 84.29 2.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.753 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -32.16 -48.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.453 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.498 HD13 HD12 ' A' ' 40' ' ' ILE . 6.0 tt -124.76 142.95 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.913 0.387 . . . . 0.0 111.539 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -134.43 138.8 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.637 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.4 m -99.77 71.3 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -32.88 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 155.67 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.1 176.87 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -128.79 -179.24 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -105.8 -177.58 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -58.48 150.19 23.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.564 HG23 ' HD2' ' A' ' 20' ' ' PRO . 40.6 mt -148.16 139.21 13.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 19' ' ' ILE . 11.5 Cg_endo -54.49 124.47 16.19 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.954 2.436 . . . . 0.0 112.29 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -68.06 -20.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' C ' HD23 ' A' ' 23' ' ' LEU . . . -64.54 -10.05 23.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 22' ' ' ALA . 6.1 mt -104.74 -20.03 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.89 ' HB3' HD11 ' A' ' 65' ' ' LEU . 85.9 mt -68.2 130.08 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 44' ' ' ARG . 47.3 pt -120.84 -28.85 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.69 142.9 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 10.7 p90 -124.12 146.85 48.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.48 163.08 29.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -100.73 146.51 27.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -75.51 142.35 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.8 mm-40 -90.58 131.1 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -59.72 80.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.77 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.91 119.52 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.29 43.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.7 170.36 9.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.802 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 86.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -127.77 -157.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 4.8 mm -131.62 153.36 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.498 HD12 HD13 ' A' ' 10' ' ' ILE . 8.4 mm -108.8 131.78 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.642 HD12 ' CH2' ' A' ' 57' ' ' TRP . 36.8 mt -117.11 121.56 41.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 36.5 tt0 -110.7 126.03 54.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 47' ' ' ARG . 14.4 p -104.34 163.62 12.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.962 0.411 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.754 ' HA ' HD13 ' A' ' 25' ' ' ILE . 1.8 ptt180 -55.42 -16.06 3.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.93 35.46 2.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 49.09 49.91 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -104.65 102.96 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 77.9 mt -107.57 102.81 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.614 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 7.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.94 98.19 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 128.59 53.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 137.29 97.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 41.2 Cg_endo -67.12 -4.49 11.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.785 2.323 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -23.67 39.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.017 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.51 135.17 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.677 HE22 ' HB2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -61.08 -47.48 86.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.44 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.642 ' CH2' HD12 ' A' ' 41' ' ' LEU . 10.9 p-90 -50.88 -20.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.053 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.5 t -88.77 -37.52 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 53' ' ' PRO . 2.3 mttt -68.76 -43.22 76.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.677 ' HB2' HE22 ' A' ' 56' ' ' GLN . 0.5 OUTLIER -75.04 -42.55 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.198 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -53.36 -44.58 68.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.698 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 27.1 mtm -71.12 -53.13 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.697 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -30.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.67 -56.04 5.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.778 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.89 HD11 ' HB3' ' A' ' 24' ' ' LEU . 84.4 mt -57.34 -27.03 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -71.7 -55.18 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -36.62 -64.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -46.36 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 72' ' ' LEU . . . -46.99 -46.57 21.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.11 -33.38 57.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.92 -15.82 10.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.678 ' C ' HG22 ' A' ' 73' ' ' THR . 1.1 mm? -86.31 -27.16 24.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.678 HG22 ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER 179.24 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 179.54 123.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -126.3 12.79 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.556 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tmm? . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.854 0.359 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 39.13 49.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 92.2 m-70 44.01 66.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 2' ' ' HIS . 4.1 m-70 179.21 86.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.82 -168.83 54.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 5' ' ' VAL . 5.5 p -124.49 50.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.066 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -132.84 173.12 11.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 175.36 47.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 9' ' ' ASN . 2.5 m -95.75 105.56 17.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.6 p-10 -35.79 -41.49 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 48' ' ' LEU . 5.6 tt -135.04 121.86 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.233 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.06 134.99 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.651 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.0 m -91.5 55.39 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -75.21 -33.62 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.53 155.3 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.3 mmt -102.51 160.8 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 17' ' ' SER . 1.6 t -107.34 -168.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 16' ' ' THR . 0.3 OUTLIER -104.78 -177.55 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -72.63 137.14 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.659 HD12 ' CH2' ' A' ' 57' ' ' TRP . 8.8 mt -134.57 139.52 32.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.525 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 9.5 Cg_endo -51.53 131.79 38.18 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.844 2.363 . . . . 0.0 112.036 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG13 ' HA ' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -61.36 -23.13 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.78 -4.28 23.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HG ' ' HG2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -104.79 -3.9 22.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.093 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 HG22 ' A' ' 43' ' ' THR . 76.5 mt -97.73 133.33 42.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.988 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' HG2' ' A' ' 42' ' ' GLU . 13.6 pt -105.1 -29.94 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.446 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -160.2 162.08 33.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.649 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.0 p90 -132.39 146.21 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.2 162.57 36.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 145.7 27.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.96 168.0 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 18.3 mt-30 -100.84 155.15 18.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -4.05 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -100.38 14.79 29.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 31' ' ' GLN . 4.0 m -125.43 -157.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 -161.96 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 158.87 0.4 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -74.52 73.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -107.04 -172.9 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mm -111.29 148.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.088 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 48' ' ' LEU . 3.3 mm -105.85 119.21 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.922 HD12 ' CH2' ' A' ' 57' ' ' TRP . 64.3 mt -104.98 130.21 53.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.996 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' A' ' 25' ' ' ILE . 4.1 tt0 -104.48 127.38 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.72 HG22 HD23 ' A' ' 24' ' ' LEU . 64.6 p -104.44 168.54 9.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' HA ' HG21 ' A' ' 25' ' ' ILE . 11.5 mtm180 -59.43 -17.29 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -104.67 32.53 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 48.67 49.78 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.638 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -107.37 126.53 52.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 10' ' ' ILE . 9.5 mt -107.64 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 47' ' ' ARG . 7.3 m-85 -111.71 129.87 55.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.97 82.14 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.51 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.573 ' CB ' HG21 ' A' ' 58' ' ' VAL . . . -104.95 123.3 47.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.239 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.5 138.8 75.68 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 71.2 Cg_exo -47.9 -20.52 2.05 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.768 2.312 . . . . 0.0 112.573 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -70.56 -49.08 51.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.967 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' OE2' ' HA ' ' A' ' 51' ' ' ALA . 41.6 mt-10 -38.3 129.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.438 HE22 ' HB2' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -58.43 -56.74 18.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.527 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.922 ' CH2' HD12 ' A' ' 41' ' ' LEU . 5.0 p-90 -50.08 -18.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.573 HG21 ' CB ' ' A' ' 51' ' ' ALA . 68.0 t -88.09 -41.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -66.34 -48.08 71.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.423 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' HB2' HE22 ' A' ' 56' ' ' GLN . 7.6 m-20 -70.5 -43.86 68.81 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.222 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.32 -44.84 44.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtp -68.35 -49.58 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.84 -33.06 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -75.82 -49.78 17.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.554 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.649 HD12 ' HB3' ' A' ' 27' ' ' TYR . 5.9 mt -58.64 -32.59 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.847 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -72.0 -32.54 67.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 10.8 mtt-85 -66.12 -38.19 87.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.765 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -20.8 63.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.28 -15.95 62.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 71' ' ' ALA . . . -132.76 -45.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ARG . . . -36.28 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.21 -68.75 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -97.09 158.1 15.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -103.29 11.49 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -123.01 -66.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.428 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.825 0.345 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 1' ' ' GLN . 13.2 tt0 48.9 31.15 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.3 m170 46.94 32.98 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -159.03 69.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.2 39.26 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.602 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 5' ' ' VAL . 4.1 p -104.7 117.8 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.61 160.41 20.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.73 47.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 33' ' ' SER . 0.8 OUTLIER 170.11 107.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 10' ' ' ILE . 2.6 p30 -35.56 -50.68 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.102 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.442 ' N ' ' CG ' ' A' ' 9' ' ' ASN . 5.5 tt -135.14 129.18 50.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.396 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 11' ' ' THR . 14.7 t -122.62 110.11 15.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 5.0 m -69.78 63.28 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -70.51 -48.9 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.57 164.65 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.426 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -88.26 156.68 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.078 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 t -104.55 -172.87 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' ILE . 3.6 m -104.81 161.65 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.508 ' HG2' ' CB ' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -50.04 135.74 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.487 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 14.7 mt -131.83 130.24 22.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 73.7 Cg_exo -47.52 121.62 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.733 2.289 . . . . 0.0 112.366 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.33 -24.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -7.5 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HA ' ' CD ' ' A' ' 44' ' ' ARG . 11.6 mt -104.52 -18.65 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.572 HD12 ' HB1' ' A' ' 61' ' ' ALA . 90.3 mt -78.26 126.56 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.798 HG23 ' HG3' ' A' ' 44' ' ' ARG . 3.2 pt -111.61 -30.02 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -147.32 141.39 26.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.957 0.408 . . . . 0.0 111.308 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 12.0 p90 -122.3 116.4 24.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -109.18 -172.97 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.235 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.9 140.91 52.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.651 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HA ' HD11 ' A' ' 40' ' ' ILE . 66.8 t30 -62.95 155.99 25.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -93.15 143.26 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.63 60.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 177.78 36.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -134.98 -89.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.89 -116.47 2.4 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 7.7 mmtm -98.72 141.45 31.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 1.3 ptt85 -61.32 90.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.83 -163.25 1.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.318 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 40' ' ' ILE . 8.5 mm -113.97 153.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.454 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 4.8 mm -104.8 125.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.979 HD12 ' CH2' ' A' ' 57' ' ' TRP . 7.9 mt -113.32 115.79 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 25.1 tt0 -106.75 129.33 54.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 23.4 p -104.58 166.9 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.798 ' HG3' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -63.34 -10.78 18.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -104.78 21.57 16.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 63.1 45.9 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.721 ' C ' HD23 ' A' ' 48' ' ' LEU . 2.4 ttt85 -104.91 108.03 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.721 HD23 ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -110.29 107.01 16.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 33.0 m-85 -123.83 147.17 47.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 4.4 m -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -111.84 143.72 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -84.44 125.2 72.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 76.8 Cg_exo -49.57 -20.82 4.57 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.666 2.244 . . . . 0.0 112.25 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -62.39 -33.08 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 23.8 mt-10 -71.22 134.23 46.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.19 -51.68 68.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.979 ' CH2' HD12 ' A' ' 41' ' ' LEU . 7.2 p-90 -48.83 -21.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 111.111 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.502 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 83.9 t -88.36 -44.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.05 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 10.8 mttt -65.17 -41.55 94.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.402 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.06 -45.03 44.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.06 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -51.39 -48.83 62.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.605 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 mtp -66.53 -53.39 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.48 -28.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 109.855 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -75.41 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.63 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 65' ' ' LEU . 21.4 mt -58.86 -21.13 56.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.18 -29.45 57.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -104.14 9.44 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG2' ' CG ' ' A' ' 74' ' ' ARG . 6.5 mp0 -125.01 -40.47 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.88 -24.19 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.206 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.61 44.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 74' ' ' ARG . . . -85.27 15.65 4.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.249 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER 72.38 -81.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 5.0 t -76.53 -45.21 31.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.684 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.7 OUTLIER 161.47 -83.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.21 109.79 20.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.502 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.801 0.334 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -119.37 -28.53 5.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 4' ' ' GLY . 12.4 t60 -140.8 172.21 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.8 m80 41.39 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 2' ' ' HIS . . . -171.18 167.85 40.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.405 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.588 HG22 ' H ' ' A' ' 7' ' ' LYS . 7.4 p -125.5 140.58 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -106.62 -9.41 16.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.588 ' H ' HG22 ' A' ' 5' ' ' VAL . 4.0 tttt 55.43 90.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.561 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 49.6 t 70.61 107.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.493 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 8' ' ' CYS . 11.7 p-10 -30.75 -42.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.327 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -135.29 117.53 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -115.11 134.09 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.39 66.15 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -30.57 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -179.26 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.4 128.72 56.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 17' ' ' SER . 1.6 t -70.01 -171.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 16' ' ' THR . 34.4 m -106.57 -176.97 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.939 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HG2' ' HB2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -61.82 152.96 30.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.71 HG23 ' HD2' ' A' ' 20' ' ' PRO . 84.9 mt -150.08 142.77 15.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.968 ' CB ' HD13 ' A' ' 23' ' ' LEU . 9.8 Cg_endo -50.64 130.23 29.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.09 2.527 . . . . 0.0 112.598 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.637 HG22 ' CE1' ' A' ' 64' ' ' HIS . 5.3 p -67.8 -37.88 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.82 3.6 9.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.968 HD13 ' CB ' ' A' ' 20' ' ' PRO . 2.0 mp -103.98 -10.15 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.657 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.85 141.13 29.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.643 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.531 HG13 ' N ' ' A' ' 26' ' ' HIS . 45.7 pt -119.32 -37.27 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.656 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.531 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -141.94 144.92 33.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.992 0.425 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.442 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.7 p90 -135.19 130.74 35.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.516 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.94 173.99 10.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.51 136.83 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.401 ' CB ' HD11 ' A' ' 40' ' ' ILE . 4.0 p-10 -72.53 -172.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.11 139.98 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.48 -4.45 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -105.91 15.17 27.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -134.69 113.19 11.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.13 -142.29 23.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 152.17 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -68.19 86.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.1 -160.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 3.4 mm -117.29 153.88 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.411 ' N ' HG22 ' A' ' 39' ' ' ILE . 19.9 mm -105.32 113.31 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 ' CH2' ' A' ' 57' ' ' TRP . 21.1 mt -106.01 124.82 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 39.9 tt0 -112.3 130.48 55.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.524 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 24.1 p -104.55 165.67 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.23 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 9.7 ptp180 -63.37 -11.66 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -104.6 25.87 9.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 58.19 47.39 14.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.787 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 1.4 ttm180 -104.72 107.89 19.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.5 mt -108.15 103.88 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 36.2 m-85 -126.28 141.98 51.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 18.4 m -84.06 105.66 15.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -108.17 120.63 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -62.84 135.96 96.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 36.1 Cg_exo -57.19 -25.54 64.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.795 2.33 . . . . 0.0 112.382 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 18.1 mmtp -66.6 -28.05 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.47 129.38 39.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -61.44 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.291 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.755 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 7.8 p-90 -44.82 -23.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.506 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.713 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 61.6 t -87.79 -47.83 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.692 0.282 . . . . 0.0 111.023 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 63.7 mttt -52.31 -55.04 24.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 109.978 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.78 -44.06 82.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.228 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.755 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.43 -47.25 56.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mtm -68.56 -54.21 18.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.672 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -51.98 -22.05 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.097 0.475 . . . . 0.0 109.737 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.637 ' CE1' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.78 -64.62 0.96 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.403 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.625 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 10.0 mt -48.08 -57.67 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -44.78 -28.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -25.87 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -95.27 -57.96 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . -64.44 -10.78 27.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 66' ' ' ASP . . . -41.49 -43.76 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.26 -18.34 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.245 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.3 mm? -113.04 -34.75 5.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -133.99 80.25 1.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -48.24 -84.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -127.61 106.9 9.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.517 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.898 0.38 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.18 -154.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -45.61 125.97 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.8 m80 40.57 83.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.23 -115.43 0.46 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.526 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.2 t -120.92 104.54 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.746 0.308 . . . . 0.0 111.165 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -111.27 -170.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.007 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 7.4 tttt 176.45 105.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.7 t 84.12 120.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.2 p30 -35.28 -45.43 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.0 tt -135.08 124.89 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' SER . 8.9 t -111.31 119.61 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 60.7 m -67.13 64.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' THR . 27.1 m -75.13 -13.65 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.03 -170.29 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.814 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.407 ' CE ' ' OD1' ' A' ' 52' ' ' ASP . 13.2 mmt -130.78 136.26 48.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 t -81.06 -175.09 5.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.2 m -104.85 165.25 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.17 111.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.598 HG22 ' HD2' ' A' ' 20' ' ' PRO . 2.1 mt -108.74 141.21 22.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HD2' HG22 ' A' ' 19' ' ' ILE . 46.1 Cg_exo -54.96 124.77 17.11 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.776 2.318 . . . . 0.0 112.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.79 -24.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.89 -6.72 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 78.0 mt -104.9 -17.36 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.758 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 HG22 ' A' ' 43' ' ' THR . 42.1 mt -78.94 138.96 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 46.2 pt -116.09 -30.91 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.45 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -167.85 150.82 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.062 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 54.2 p90 -112.51 -173.19 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.472 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 17.2 mt-30 -157.07 162.58 39.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.64 102.26 11.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.415 HD21 ' HA ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -57.55 138.05 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.66 164.52 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.89 -1.94 24.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.298 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -107.3 13.65 26.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.2 m -122.1 112.01 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.57 -119.75 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.38 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 149.19 27.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.737 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 87.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -123.2 -160.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.1 mm -121.7 150.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 3.7 mm -105.01 131.77 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.921 HD12 ' CH2' ' A' ' 57' ' ' TRP . 5.1 mt -113.75 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.515 ' HG3' HD23 ' A' ' 48' ' ' LEU . 18.7 tt0 -110.78 128.93 55.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.67 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 HD23 ' A' ' 24' ' ' LEU . 19.2 p -104.78 167.11 9.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.972 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 11.7 ptp180 -68.18 -7.01 26.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 1.4 tt0 -105.02 18.05 23.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 33.5 m-70 66.66 44.41 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.562 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 1.3 ttm-85 -105.11 110.94 23.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD23 ' HG3' ' A' ' 42' ' ' GLU . 1.6 mt -112.48 113.23 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 38.4 m-85 -132.34 160.82 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 m -103.63 110.53 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.97 139.66 44.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -67.87 129.29 93.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.47 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 19.7 Cg_endo -60.74 -12.55 22.15 Favored 'Trans proline' 0 C--N 1.34 0.093 0 C-N-CA 122.786 2.324 . . . . 0.0 112.335 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -33.4 53.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.583 ' HB2' HG23 ' A' ' 58' ' ' VAL . 5.8 mt-10 -61.44 132.35 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.526 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.49 -50.6 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.921 ' CH2' HD12 ' A' ' 41' ' ' LEU . 6.5 p-90 -47.07 -22.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.049 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.583 HG23 ' HB2' ' A' ' 55' ' ' GLU . 40.8 t -88.53 -51.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.327 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 79.6 mttt -55.15 -43.6 74.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.27 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' CB ' HE22 ' A' ' 56' ' ' GLN . 1.0 OUTLIER -75.33 -43.07 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.05 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -53.27 -36.24 60.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 62.5 mtm -74.23 -60.34 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.487 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -44.85 -27.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -75.53 -59.18 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.896 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 26' ' ' HIS . 18.3 mt -53.71 -25.04 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.94 -28.61 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -93.07 22.5 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -129.61 -62.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.47 -12.66 46.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.3 -4.87 24.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.46 26.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.986 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 68.26 -79.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -56.43 -91.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.515 ' H ' HG23 ' A' ' 73' ' ' THR . 1.0 OUTLIER 174.76 125.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -118.02 18.82 13.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.515 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.459 ' SD ' ' HA ' ' A' ' 6' ' ' THR . 2.1 tmm? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.776 0.322 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -157.9 23.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -102.35 -71.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 175.39 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.71 -3.27 61.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.413 ' O ' ' SD ' ' A' ' 0' ' ' MET . 0.0 OUTLIER -109.01 107.28 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -120.98 6.48 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 6' ' ' THR . 1.1 tptm 86.1 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.987 0.423 . . . . 0.0 110.799 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -151.62 103.26 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.841 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -35.06 -41.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.134 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.4 tt -134.85 123.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.26 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 t -113.64 151.31 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 94.5 m -105.28 72.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -36.54 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -141.75 -179.65 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmt -107.47 163.37 13.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -111.82 -166.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -104.79 -173.23 2.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' HG3' ' HB3' ' A' ' 57' ' ' TRP . 6.9 tttt -71.94 144.13 49.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 20' ' ' PRO . 69.4 mt -139.44 140.36 25.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 19' ' ' ILE . 13.8 Cg_endo -56.82 119.08 6.07 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.834 2.356 . . . . 0.0 112.3 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG23 HD12 ' A' ' 24' ' ' LEU . 8.0 p -58.88 -20.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' C ' HD23 ' A' ' 23' ' ' LEU . . . -64.48 -9.91 21.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.545 ' CD1' ' HG2' ' A' ' 20' ' ' PRO . 4.0 mt -105.06 -20.43 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 21' ' ' VAL . 81.4 mt -67.77 133.11 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.582 ' CG2' ' CG ' ' A' ' 44' ' ' ARG . 17.6 pt -116.58 -35.18 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.97 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.523 ' N ' HG13 ' A' ' 25' ' ' ILE . 2.4 m-70 -166.67 148.91 6.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -117.16 143.51 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.8 169.11 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -112.21 106.6 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.26 152.96 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 3.7 mm-40 -83.43 141.78 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.85 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -83.43 -9.79 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 31' ' ' GLN . 3.6 m -111.18 135.63 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.55 -139.2 0.36 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.66 162.41 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -67.53 86.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -123.21 -166.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 mm -125.55 151.69 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 mm -104.75 141.1 20.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.548 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 87.1 mt -127.23 118.48 24.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.127 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 21.2 tt0 -106.06 131.23 53.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 47' ' ' ARG . 30.9 p -104.33 168.47 9.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.872 0.368 . . . . 0.0 111.377 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.582 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 39.6 mtp180 -60.5 -13.72 15.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.42 20.44 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 61.38 49.15 5.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.566 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.78 108.78 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 82.3 mt -105.69 117.23 33.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 13.5 m-85 -127.17 162.81 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.28 95.87 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.55 138.12 42.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.63 138.45 85.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.7 -20.35 57.98 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.826 2.35 . . . . 0.0 112.289 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -73.15 -28.92 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 44.9 mt-10 -56.24 132.13 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -57.16 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 9.0 p-90 -53.19 -17.64 1.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 86.7 t -88.48 -35.85 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -67.76 -48.39 66.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -72.92 -44.94 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.58 -43.84 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.9 mtm -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -48.06 -24.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 109.916 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -75.52 -48.29 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.97 -29.19 70.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.56 -27.12 62.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -38.04 57.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.45 -56.27 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.59 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.74 -40.89 80.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.53 -13.4 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.672 ' C ' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER -125.54 27.34 6.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.672 HG23 ' C ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER 66.27 147.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -97.2 -25.91 15.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -128.44 -39.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.516 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.8 23.56 12.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.88 26.19 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.6 m170 55.57 19.81 3.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.54 142.95 11.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.5 p -126.2 104.79 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 33.6 p -127.99 -91.61 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 6' ' ' THR . 40.4 tttp 85.55 44.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' ASN . 5.7 t -149.12 101.19 3.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.726 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.1 p-10 -35.1 -39.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.003 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.0 tt -134.91 120.89 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.29 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 9.9 t -105.33 117.56 34.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.699 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 62.9 m -78.31 61.9 2.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -24.04 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -153.76 160.0 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.761 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.401 ' SD ' ' HB2' ' A' ' 52' ' ' ASP . 24.2 mmt -91.89 158.96 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.991 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -105.94 -167.98 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.9 m -104.7 168.59 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' C ' HG13 ' A' ' 19' ' ' ILE . 10.3 tttt -50.8 159.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.487 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 36.4 mt -157.2 138.56 9.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' HB2' HD23 ' A' ' 23' ' ' LEU . 31.9 Cg_exo -60.42 123.66 13.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.793 2.329 . . . . 0.0 112.289 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' HA ' ' HG ' ' A' ' 24' ' ' LEU . 7.4 p -56.05 -22.37 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.14 -10.19 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.178 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.516 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -104.48 -21.31 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.7 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 23.2 mt -75.2 133.74 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.671 HD13 ' HA ' ' A' ' 44' ' ' ARG . 17.3 pt -121.83 -29.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.22 150.93 20.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.211 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 2.1 p90 -134.91 147.65 49.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -133.28 179.15 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.086 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -110.31 141.52 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.86 172.16 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' SER . 59.0 mt-30 -113.99 132.11 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -60.15 82.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.482 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.03 -30.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -105.4 139.99 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.68 -114.69 0.97 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.644 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 166.3 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 89.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.738 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.699 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -128.65 -162.0 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.518 ' CG1' ' HG3' ' A' ' 53' ' ' PRO . 3.2 mm -122.63 153.4 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.541 HD12 HG21 ' A' ' 10' ' ' ILE . 5.4 mm -104.7 126.24 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.916 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -116.14 127.9 55.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.439 . . . . 0.0 111.159 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -119.57 128.2 53.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.592 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.655 HG22 HD23 ' A' ' 24' ' ' LEU . 21.1 p -104.71 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.671 ' HA ' HD13 ' A' ' 25' ' ' ILE . 22.0 ptt180 -68.27 -6.6 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -104.59 19.06 21.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 70.3 m-70 65.44 44.99 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 7.0 ttt-85 -104.9 106.2 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 30.5 mt -111.79 112.39 24.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 22.0 m-85 -135.07 167.69 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.011 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -107.19 117.69 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.459 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -119.3 137.08 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.068 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 6.6 t70 -74.42 129.55 83.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 53.4 Cg_exo -52.03 -20.17 9.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -71.59 -21.06 61.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 43.9 mt-10 -69.29 131.02 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -55.23 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.498 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.681 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 13.7 p-90 -53.93 -16.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.6 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.459 HG21 ' HB1' ' A' ' 51' ' ' ALA . 49.1 t -88.06 -37.35 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -66.35 -50.31 63.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.136 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.75 -42.57 70.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.7 ' HB1' ' CD1' ' A' ' 24' ' ' LEU . . . -51.64 -41.65 61.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.757 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.8 mtm -73.79 -63.68 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -26.16 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 109.953 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.405 ' ND1' HG21 ' A' ' 21' ' ' VAL . 32.1 t-80 -75.17 -56.97 4.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -45.39 -37.97 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.95 -55.69 6.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.35 59.72 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -144.11 -69.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.79 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.26 -39.74 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.03 -26.82 15.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.23 -15.04 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.79 -26.16 5.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.08 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 p -134.75 83.62 2.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.956 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.03 94.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.0 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' THR . 7.2 t30 -133.52 98.7 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.465 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.828 0.347 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 2' ' ' HIS . 7.1 mm-40 -107.13 -51.06 2.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 1' ' ' GLN . 11.7 t-80 170.81 -50.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -88.07 104.02 16.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.45 -172.55 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 p -105.98 115.52 47.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.796 0.331 . . . . 0.0 111.014 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -105.01 174.42 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 6' ' ' THR . 1.2 ttpm? 177.37 43.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.175 0.512 . . . . 0.0 110.292 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -105.42 133.26 50.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.2 p30 -34.06 -51.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.8 tt -131.85 117.16 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.022 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 11' ' ' THR . 7.8 t -104.78 98.19 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.02 76.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.81 -50.57 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -119.13 -175.62 2.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.9 mmt -118.53 131.74 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -72.34 -170.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' HG13 ' A' ' 19' ' ' ILE . 9.0 m -105.17 165.88 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.534 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -57.43 134.08 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.983 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.841 HD12 ' CH2' ' A' ' 57' ' ' TRP . 3.0 mt -132.48 142.17 43.9 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.654 ' HD2' HG22 ' A' ' 19' ' ' ILE . 39.0 Cg_exo -56.21 137.12 78.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG13 ' HA ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -68.99 -23.21 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.27 -8.67 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 15.5 mt -104.65 -18.74 14.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.811 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD12 ' HB1' ' A' ' 61' ' ' ALA . 21.4 mt -78.3 149.36 33.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.601 HD11 ' CD ' ' A' ' 42' ' ' GLU . 23.8 pt -125.45 -36.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.404 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.682 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -150.71 159.92 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 111.277 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 17.8 p90 -132.63 145.25 50.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.633 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -145.22 163.28 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.17 159.56 14.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.19 161.06 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 33' ' ' SER . 51.6 mt-30 -86.65 121.37 29.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -57.09 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 163.31 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -105.06 130.75 53.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.89 -159.17 0.11 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 158.76 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 87.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.437 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -118.32 -164.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 40' ' ' ILE . 9.8 mm -126.71 153.72 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 39' ' ' ILE . 4.7 mm -108.66 121.13 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.051 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.979 HD12 ' CH2' ' A' ' 57' ' ' TRP . 12.5 mt -106.27 125.5 51.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.601 ' CD ' HD11 ' A' ' 25' ' ' ILE . 31.6 tt0 -104.71 128.8 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 24' ' ' LEU . 14.2 p -104.5 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.985 0.421 . . . . 0.0 111.161 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.548 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.6 mtm180 -63.92 -12.9 41.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -104.79 18.7 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 61.42 46.25 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.627 ' NE ' ' CZ ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.54 126.91 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.714 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 51.9 mt -108.24 111.42 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CZ ' ' NE ' ' A' ' 47' ' ' ARG . 4.8 m-85 -107.7 134.81 50.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -91.59 86.36 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.277 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.533 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -104.58 131.84 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.414 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.86 142.23 97.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 53.2 Cg_exo -54.18 -19.51 16.6 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.768 2.312 . . . . 0.0 112.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -80.22 -10.56 59.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 16.2 mt-10 -71.91 131.28 42.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.6 -58.4 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.283 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.979 ' CH2' HD12 ' A' ' 41' ' ' LEU . 3.5 p-90 -53.99 -16.67 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.475 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.533 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 74.4 t -88.14 -42.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.706 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -61.03 -51.82 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.279 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -69.18 -45.64 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.597 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.764 ' HB1' HD12 ' A' ' 24' ' ' LEU . . . -48.39 -37.09 16.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.559 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 13.1 mtm -75.13 -62.11 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.839 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -27.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.116 0.484 . . . . 0.0 109.938 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -75.67 -58.77 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.872 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 26' ' ' HIS . 16.0 mt -55.0 -37.48 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -58.64 -22.3 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.813 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.11 -14.87 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -87.3 -14.64 40.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.407 ' O ' HD23 ' A' ' 72' ' ' LEU . . . -74.28 -51.62 14.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.23 -24.91 63.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.06 -11.28 18.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.245 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -63.57 -70.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.33 17.26 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER 50.01 28.37 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -134.17 86.93 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.512 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.473 ' HA ' ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.799 0.333 . . . . 0.0 111.149 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.47 8.54 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -152.63 154.99 36.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.794 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -69.2 95.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.7 24.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.875 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 0' ' ' MET . 6.8 t -116.33 80.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.779 0.324 . . . . 0.0 111.291 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.46 -5.92 5.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.305 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 46.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.38 . . . . 0.0 110.79 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 10' ' ' ILE . 4.7 t -160.84 96.94 1.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -33.38 -34.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.591 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.0 tt -135.18 119.29 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -122.94 152.83 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.803 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 72.2 m -98.7 63.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.437 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.77 -24.99 58.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 13' ' ' SER . 4.5 tptp -147.69 -172.04 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mmt -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -89.08 -169.4 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.9 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -66.16 123.11 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.428 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 28.8 mt -123.26 136.71 27.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.585 ' HB2' HD23 ' A' ' 23' ' ' LEU . 35.3 Cg_exo -58.63 138.64 86.86 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.808 2.339 . . . . 0.0 112.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -25.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' C ' HD22 ' A' ' 23' ' ' LEU . . . -65.53 -9.24 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.585 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -104.75 -19.97 13.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 HG22 ' A' ' 43' ' ' THR . 19.7 mt -81.97 129.36 34.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.786 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.604 HD11 ' OE2' ' A' ' 42' ' ' GLU . 22.1 pt -113.58 -27.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.06 152.0 30.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.269 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 26.3 p90 -133.5 111.42 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.49 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.429 ' C ' ' HB ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER -97.46 -167.38 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.53 ' CA ' HG12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -132.17 125.46 31.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.815 ' HB2' HD11 ' A' ' 40' ' ' ILE . 8.7 t30 -62.38 129.69 41.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -50.55 133.2 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -11.96 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.21 18.53 12.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 31' ' ' GLN . 2.7 m -129.25 -153.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -48.19 -179.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.425 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -45.23 142.38 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -63.64 89.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.803 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -114.42 -156.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 9.3 mm -119.93 152.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 30' ' ' ASN . 12.3 mm -105.12 129.73 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD12 ' CH2' ' A' ' 57' ' ' TRP . 6.9 mt -122.91 117.5 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' OE2' HD11 ' A' ' 25' ' ' ILE . 22.0 tt0 -109.75 124.86 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.721 HG22 HD23 ' A' ' 24' ' ' LEU . 5.5 p -104.46 162.46 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 111.462 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.528 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 6.8 mtp85 -50.07 -19.29 0.7 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.548 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -103.58 40.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 42.91 51.26 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.611 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.621 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 6.1 ttm-85 -104.44 102.39 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD21 ' HG3' ' A' ' 42' ' ' GLU . 21.5 mt -106.63 111.03 23.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 13.3 m-85 -128.46 162.49 27.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -101.72 105.26 16.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.586 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -106.76 132.83 52.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -68.98 131.99 90.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.443 ' HG3' HG12 ' A' ' 39' ' ' ILE . 50.4 Cg_exo -53.57 -19.63 14.34 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.773 2.316 . . . . 0.0 112.245 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -74.2 -37.93 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 15.6 mt-10 -48.77 119.7 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.65 -55.85 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.357 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.603 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 20.1 p-90 -51.25 -19.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.451 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.586 HG21 ' HB1' ' A' ' 51' ' ' ALA . 78.9 t -88.36 -39.74 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -61.89 -48.56 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.399 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -73.84 -46.3 45.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.539 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -51.26 -43.04 61.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.967 0.413 . . . . 0.0 110.689 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -68.3 -56.66 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.78 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.46 -28.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 109.879 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -75.55 -50.89 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.618 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.71 -24.61 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -63.18 1.25 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.23 -38.41 8.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.761 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 7.6 mt-30 -52.46 -62.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.01 -59.65 5.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.08 -31.42 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -62.34 -12.22 19.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.186 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -112.89 -70.26 0.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -143.04 155.69 44.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -99.64 29.4 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -127.44 44.02 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.515 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' GLY . 3.8 tmm? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.815 0.34 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -90.38 104.08 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -173.24 -76.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.01 -6.23 16.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 0' ' ' MET . . . 156.43 -125.51 1.63 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.477 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.54 107.97 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.339 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.5 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.44 5.01 21.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.061 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 40.35 89.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.613 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER 72.52 99.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.988 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.9 p30 -33.65 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.6 tt -132.61 93.05 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -105.35 115.14 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.595 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 63.4 m -73.94 54.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 t -75.49 -16.65 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.752 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -147.94 124.64 11.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 171.37 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -120.09 -172.32 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -113.7 155.53 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 4.0 mt -145.48 136.41 12.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.436 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 51.6 Cg_exo -52.8 116.48 2.92 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.722 2.281 . . . . 0.0 112.488 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 HD12 ' A' ' 24' ' ' LEU . 5.5 p -60.07 -14.97 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.762 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.64 -12.9 61.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -104.44 -12.17 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.791 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 HG22 ' A' ' 43' ' ' THR . 67.2 mt -79.99 124.07 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.724 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.592 HG21 ' HB3' ' A' ' 44' ' ' ARG . 20.5 pt -109.36 -28.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.26 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.05 141.57 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -113.05 163.57 14.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.508 ' CB ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -141.82 -159.56 0.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.08 127.34 16.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.64 167.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.39 156.19 19.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -6.79 41.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.44 4.74 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' GLY . 9.1 m -116.23 -162.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.831 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -56.77 -150.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.39 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.15 89.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -112.99 -153.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.508 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.5 mm -119.4 150.67 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.067 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.508 ' HB ' ' CB ' ' A' ' 28' ' ' GLN . 14.4 mm -104.88 132.61 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.646 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 52.6 mt -117.88 114.42 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HA ' HD23 ' A' ' 48' ' ' LEU . 29.1 tt0 -110.88 125.58 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.672 HG22 HD23 ' A' ' 24' ' ' LEU . 28.7 p -104.69 166.69 10.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.592 ' HB3' HG21 ' A' ' 25' ' ' ILE . 14.5 ptp180 -63.35 -11.9 26.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.963 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 26.86 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 57.73 48.46 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.53 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 5.4 ttm-85 -104.76 105.74 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 42' ' ' GLU . 79.3 mt -110.83 104.01 12.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.749 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 37.3 m-85 -122.82 162.0 22.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -101.46 120.91 41.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.485 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -125.67 131.49 52.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.32 129.74 83.64 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.508 ' HG3' HG12 ' A' ' 39' ' ' ILE . 36.9 Cg_exo -56.94 -14.7 14.86 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.822 2.348 . . . . 0.0 112.207 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' O ' ' CE ' ' A' ' 59' ' ' LYS . 25.1 mtmt -70.26 -28.23 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -74.31 133.7 42.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.707 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.535 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.11 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.484 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 p-90 -46.87 -22.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.221 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 95.9 t -88.08 -48.7 14.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 54' ' ' LYS . 44.7 mttt -61.81 -40.47 95.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.893 0.378 . . . . 0.0 110.227 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.59 -42.39 61.62 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.821 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.6 -46.73 58.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 64.4 mtm -68.52 -55.42 11.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.688 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -52.34 -21.31 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 109.841 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.419 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 21.3 t-80 -74.67 -58.87 3.01 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.806 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.64 -22.01 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.51 -36.4 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -89.29 30.49 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.463 ' HB3' ' HA ' ' A' ' 74' ' ' ARG . 25.4 mt-30 -152.54 -64.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.86 -11.96 43.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.8 15.14 5.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.479 ' O ' HG22 ' A' ' 73' ' ' THR . . . -165.08 35.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 72' ' ' LEU . 0.5 OUTLIER 67.83 -76.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -42.97 100.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.527 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 4.2 mtm105 -75.53 -30.63 59.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -130.26 115.9 17.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.419 -1.211 . . . . 0.0 112.504 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.94 66.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 71.3 -70.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -135.82 126.88 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.81 113.84 3.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 5' ' ' VAL . 32.4 m -124.49 51.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.727 0.299 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 t -108.61 -6.33 16.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 74.87 43.42 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.5 t 156.93 113.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.775 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.684 ' OD1' HG22 ' A' ' 10' ' ' ILE . 13.7 p30 -43.19 -48.66 6.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.684 HG22 ' OD1' ' A' ' 9' ' ' ASN . 5.9 tt -133.59 107.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -105.98 137.1 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 89.3 m -76.82 84.33 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -75.17 -52.76 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 -176.86 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.753 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.404 ' SD ' ' CG ' ' A' ' 52' ' ' ASP . 8.3 mmt -113.24 131.94 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -78.52 -172.09 2.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.15 176.21 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD3' ' HB3' ' A' ' 57' ' ' TRP . 1.6 ttpm? -65.7 77.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 20' ' ' PRO . 30.6 mt -69.59 140.59 89.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 19' ' ' ILE . 14.8 Cg_endo -56.91 134.17 62.73 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.892 2.395 . . . . 0.0 112.236 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.578 HG13 HD12 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.53 -22.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.88 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' A' ' 43' ' ' THR . 10.0 mt -104.47 -24.81 12.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD23 HG22 ' A' ' 43' ' ' THR . 21.3 mt -73.13 142.92 47.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.604 HG21 ' HG2' ' A' ' 44' ' ' ARG . 10.5 pt -129.63 -36.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.372 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -154.58 146.72 23.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 22.4 p90 -128.73 152.77 48.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.67 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.429 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -142.57 167.18 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.033 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 170.5 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -111.17 147.87 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.54 141.61 42.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.18 24.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -106.87 19.86 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 m -104.63 -86.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.66 -123.38 1.21 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 34.9 mttt -70.37 145.7 50.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -72.87 84.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.675 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.633 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -127.64 -171.28 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 40' ' ' ILE . 3.4 mm -112.11 158.31 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.514 ' N ' HG22 ' A' ' 39' ' ' ILE . 16.1 mm -107.67 129.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.634 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 45.0 mt -118.18 123.61 45.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 37.3 tt0 -110.94 128.69 55.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.59 HG22 HD23 ' A' ' 24' ' ' LEU . 20.1 p -104.31 164.93 11.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.249 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 25' ' ' ILE . 65.4 mtm180 -56.4 -16.6 6.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -104.43 34.72 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 48.75 51.48 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.605 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 12.0 ttm-85 -104.54 107.76 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.752 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.2 mt -105.64 111.64 24.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.605 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 17.8 m-85 -131.19 146.74 52.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.9 m -88.53 107.11 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.715 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -107.25 112.36 25.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 0.4 OUTLIER -56.35 131.21 75.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 51.3 Cg_exo -53.82 -42.98 62.01 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.764 2.309 . . . . 0.0 112.229 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -23.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.78 128.76 36.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.773 HE22 ' HB2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -59.04 -50.94 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.376 -179.583 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.634 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 2.5 p-90 -46.9 -23.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.232 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.715 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 73.1 t -88.76 -46.62 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.06 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 18.6 mttm -59.27 -43.36 92.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.381 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.773 ' HB2' HE22 ' A' ' 56' ' ' GLN . 1.7 m-20 -75.62 -48.76 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.469 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -52.86 -41.16 64.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.067 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.529 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.8 mtm -70.54 -55.19 9.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -44.69 -28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 109.935 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -75.51 -59.4 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.65 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 25' ' ' ILE . 39.2 mt -48.89 -39.55 26.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.981 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -62.83 -57.27 11.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -42.49 -33.81 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -74.39 -54.46 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.78 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.54 -13.14 60.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.84 -17.31 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.07 -54.4 3.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' A' ' 73' ' ' THR . 1.5 p -123.77 93.58 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -71.76 -84.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -116.26 -42.8 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.485 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.834 0.35 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.88 175.21 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 63.46 -87.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.828 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 128.79 18.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.799 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.63 77.47 1.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.427 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 5' ' ' VAL . 11.7 m -122.42 48.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 111.072 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.415 ' C ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -130.84 105.87 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -131.35 46.38 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' ASN . 4.9 p -120.68 71.51 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -36.8 -33.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.0 tt -135.06 118.56 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.17 136.75 44.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.1 m -90.5 70.7 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -69.39 -39.24 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.98 179.35 6.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 38' ' ' ALA . 16.2 mmt -119.5 140.57 50.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 17' ' ' SER . 3.9 t -87.18 -169.2 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 16' ' ' THR . 0.1 OUTLIER -104.88 -172.83 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -74.54 140.82 44.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.649 HD12 ' CH2' ' A' ' 57' ' ' TRP . 4.9 mt -138.75 142.09 32.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.323 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HD2' HG22 ' A' ' 19' ' ' ILE . 52.9 Cg_exo -53.49 116.01 2.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.57 -21.3 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.977 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.22 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.71 -5.17 21.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 41' ' ' LEU . 44.7 mt -85.23 141.77 29.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.619 HD11 ' HG2' ' A' ' 42' ' ' GLU . 18.4 pt -116.84 -29.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 25' ' ' ILE . 19.9 m80 -159.36 158.18 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HD2' HD13 ' A' ' 65' ' ' LEU . 16.2 p90 -132.52 134.79 45.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.688 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 170.34 10.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -112.76 145.91 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -79.94 161.68 25.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -102.3 133.85 46.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.39 82.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -178.99 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -105.11 131.61 52.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.74 -159.63 48.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.347 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.63 157.87 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -65.2 88.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 15' ' ' MET . . . -128.23 -168.8 1.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.48 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.9 mm -119.29 151.45 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.2 mm -105.01 133.17 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.595 HD12 ' CH2' ' A' ' 57' ' ' TRP . 86.7 mt -124.35 128.73 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.619 ' HG2' HD11 ' A' ' 25' ' ' ILE . 53.2 tt0 -110.85 130.56 55.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.483 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.833 HG21 HH11 ' A' ' 47' ' ' ARG . 74.0 p -104.79 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.367 . . . . 0.0 111.345 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 29.8 mtm180 -67.23 -7.95 27.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.799 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -104.22 20.88 17.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 53.89 37.33 26.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.597 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.833 HH11 HG21 ' A' ' 43' ' ' THR . 2.6 ttm180 -104.54 118.48 36.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.239 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 9.9 mt -104.9 131.25 52.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 3.4 m-85 -134.83 151.02 50.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -99.63 99.92 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB1' ' OE1' ' A' ' 55' ' ' GLU . . . -105.72 123.5 48.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 2.5 t70 -61.42 136.39 94.27 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 48.2 Cg_exo -55.56 -17.89 18.48 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.696 2.264 . . . . 0.0 112.17 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 52.3 mttt -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' OE1' ' HB1' ' A' ' 51' ' ' ALA . 26.7 mt-10 -69.05 132.79 47.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.182 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.649 ' CH2' HD12 ' A' ' 19' ' ' ILE . 4.2 p-90 -52.18 -18.85 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' HB1' ' A' ' 51' ' ' ALA . 79.9 t -88.29 -32.16 5.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.945 0.402 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 54' ' ' LYS . 16.4 mttp -69.02 -54.35 15.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.077 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -68.19 -43.72 77.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.57 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -52.06 -44.66 64.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.982 0.42 . . . . 0.0 110.549 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.423 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 37.6 mtm -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -44.87 -27.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.084 0.469 . . . . 0.0 109.96 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.39 -63.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD13 ' HD2' ' A' ' 27' ' ' TYR . 11.9 mt -55.73 -17.74 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 62' ' ' MET . 35.4 m-20 -68.05 -36.5 79.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.07 -9.2 49.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -63.31 -68.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.58 -48.05 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.208 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.02 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -55.92 -17.09 5.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.304 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 73' ' ' THR . 0.2 OUTLIER -124.48 -47.07 1.87 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER 166.9 163.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.05 118.57 3.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -117.91 -61.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.581 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.852 0.358 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.55 -54.22 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.769 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.3 177.55 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -45.36 135.69 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.25 159.91 2.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.757 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.0 p -132.9 64.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -130.73 -177.64 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 164.4 42.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.204 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' ASN . 1.4 t -111.18 136.87 49.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.922 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.435 HD22 HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -36.12 -63.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.946 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.3 tt -134.45 112.51 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.462 ' OG1' ' HA3' ' A' ' 35' ' ' GLY . 1.2 t -118.04 130.97 56.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 10.9 m -72.72 78.03 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -72.42 -21.78 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.795 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 -176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.78 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.2 mmt -102.24 161.88 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.991 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.549 ' HG1' ' HD2' ' A' ' 49' ' ' PHE . 5.3 t -110.58 -167.5 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.96 163.69 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -58.5 134.34 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.58 HG23 ' HD2' ' A' ' 20' ' ' PRO . 58.5 mt -130.17 146.25 60.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.58 ' HD2' HG23 ' A' ' 19' ' ' ILE . 16.1 Cg_exo -66.29 138.05 49.72 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.657 2.238 . . . . 0.0 112.19 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.32 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -16.64 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.548 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.5 mm? -104.51 -18.01 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.642 HD12 ' HB1' ' A' ' 61' ' ' ALA . 12.0 mt -74.44 128.83 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.617 HD13 ' HA ' ' A' ' 44' ' ' ARG . 29.5 pt -122.72 -31.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.07 146.09 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB3' HD12 ' A' ' 65' ' ' LEU . 12.9 p90 -121.42 157.71 29.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.733 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -147.69 -156.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' CA ' HG12 ' A' ' 40' ' ' ILE . 2.9 tt0 -150.37 149.8 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -69.35 153.75 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 45.2 mm-40 -78.02 152.37 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.29 -7.2 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 p -131.2 35.31 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 31' ' ' GLN . 48.2 t -119.79 -71.38 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA3' ' OG1' ' A' ' 11' ' ' THR . . . -141.39 -116.7 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.765 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 78.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.513 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -122.57 -174.48 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.56 146.97 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 5.9 mm -104.93 141.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 56.4 mt -124.21 130.33 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 56.1 tt0 -120.67 126.72 50.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.607 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.534 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 14.8 p -104.46 164.88 11.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.617 ' HA ' HD13 ' A' ' 25' ' ' ILE . 1.9 ptt180 -62.02 -11.87 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -104.09 27.96 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.681 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 55.72 47.8 19.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 3.8 ttt85 -104.59 111.48 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 22.1 mt -111.08 116.94 31.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.612 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 11.8 m-85 -134.55 170.49 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.37 110.28 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.26 143.3 45.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 133.13 92.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.789 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.81 -14.12 20.94 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.841 2.36 . . . . 0.0 112.257 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.77 -34.5 39.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.3 mt-10 -47.86 134.97 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -56.36 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.251 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 6.8 p-90 -54.47 -17.16 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.48 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.567 ' O ' ' HE2' ' A' ' 62' ' ' MET . 54.3 t -88.23 -29.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.969 0.414 . . . . 0.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -72.85 -52.61 14.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.043 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.09 -43.81 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.262 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 24' ' ' LEU . . . -53.39 -49.64 66.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 110.423 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.567 ' HE2' ' O ' ' A' ' 58' ' ' VAL . 44.1 mtm -67.72 -57.37 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.534 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -44.78 -27.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -75.42 -48.71 21.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.382 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 27' ' ' TYR . 88.6 mt -60.43 -40.49 91.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -61.23 -30.86 70.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -94.49 35.32 1.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -143.71 -69.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.04 -19.42 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.05 61.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.27 -5.94 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.689 ' O ' HD13 ' A' ' 72' ' ' LEU . 1.1 tm? -119.91 -16.58 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.159 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -138.31 34.19 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -43.32 139.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -130.81 -38.69 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.547 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 37.2 ttp . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.542 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . 0.9 OUTLIER -41.25 -39.66 1.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.542 ' CE1' ' HB3' ' A' ' 1' ' ' GLN . 0.0 OUTLIER 171.93 96.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 2' ' ' HIS . 7.2 t-80 169.67 -43.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.14 29.51 6.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.568 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.582 ' O ' HG13 ' A' ' 5' ' ' VAL . 5.6 p -118.66 87.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -131.87 -160.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.028 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 6' ' ' THR . 18.6 tttp 177.7 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' ASN . 42.8 t 63.37 133.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -37.83 -46.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.9 tt -134.18 111.56 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 11' ' ' THR . 6.7 t -107.04 118.99 38.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' SG ' ' ND2' ' A' ' 30' ' ' ASN . 85.7 m -78.76 73.24 5.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -48.9 28.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.67 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.24 -178.46 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.6 mmt -114.66 127.46 55.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -70.02 -170.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 19' ' ' ILE . 85.1 p -109.13 168.62 9.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 19' ' ' ILE . 9.1 tptp -42.76 144.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.481 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 22.2 mt -140.96 133.57 14.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -50.91 112.29 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -53.19 -24.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.001 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.25 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.634 HD23 ' NH1' ' A' ' 44' ' ' ARG . 13.5 mt -104.56 -19.68 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 HG22 ' A' ' 43' ' ' THR . 33.3 mt -76.99 134.53 38.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 44' ' ' ARG . 13.0 pt -122.69 -30.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.449 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.463 ' HB2' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -146.85 150.13 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 111.186 -179.754 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -131.93 131.83 43.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.7 174.02 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.037 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.09 145.16 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.729 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.456 ' ND2' ' SG ' ' A' ' 12' ' ' CYS . 27.5 t-20 -78.46 162.33 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -101.73 151.6 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.24 -0.56 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.73 -13.18 14.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.64 119.36 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 41.35 -146.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 146.88 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -65.1 86.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.56 -161.13 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.445 HG12 ' HG3' ' A' ' 53' ' ' PRO . 6.9 mm -110.45 148.21 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.274 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.3 mm -105.17 123.95 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.798 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -112.62 116.61 30.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 1.4 tt0 -111.7 128.22 56.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.77 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.752 HG22 HD23 ' A' ' 24' ' ' LEU . 14.2 p -104.29 164.43 11.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.649 ' HA ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -55.18 -16.24 2.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -104.0 35.07 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 48.8 50.99 16.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 9.0 ttm-85 -104.85 99.02 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -105.28 113.24 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.4 m-85 -130.47 145.21 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.1 m -87.47 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.99 142.8 40.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.78 132.23 55.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HG3' HG12 ' A' ' 39' ' ' ILE . 67.7 Cg_exo -50.96 -47.11 27.08 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.79 2.327 . . . . 0.0 112.366 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.36 -37.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.76 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.754 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.18 -50.6 73.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.37 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.798 ' CH2' HD12 ' A' ' 41' ' ' LEU . 11.4 p-90 -50.87 -20.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 110.964 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 62' ' ' MET . 77.1 t -88.47 -44.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.76 -43.63 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.256 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' CB ' HE22 ' A' ' 56' ' ' GLN . 0.5 OUTLIER -73.83 -43.66 58.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.925 179.38 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -43.69 50.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 37.2 mtm -68.63 -51.36 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.535 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -44.79 -29.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.061 0.458 . . . . 0.0 109.959 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.48 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 83.1 t60 -75.43 -59.05 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.737 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 8.5 mt -48.6 -39.52 24.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -52.72 -42.66 65.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.021 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -22.68 62.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 1.1 mp0 -71.72 -56.14 6.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.04 -31.44 72.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.39 -48.9 68.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.55 -11.63 17.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.322 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.75 -48.24 3.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.11 139.67 22.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -60.37 165.4 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -119.81 -34.68 3.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.778 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.486 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.616 ' ND2' HG22 ' A' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.601 0.239 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -132.16 95.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -104.73 125.32 50.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 31.6 m -81.19 75.88 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -66.47 -35.24 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.417 . . . . 0.0 110.621 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 13' ' ' SER . 6.6 mmtp -145.4 -172.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.35 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 t -91.53 -171.62 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.23 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HE3' ' HB2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -63.93 137.68 58.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 12.7 mt -141.17 140.53 21.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HB2' HD23 ' A' ' 23' ' ' LEU . 41.0 Cg_exo -55.61 122.32 11.52 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.768 2.312 . . . . 0.0 112.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.87 -22.11 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.69 -5.94 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.214 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -104.75 -13.72 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 HG22 ' A' ' 43' ' ' THR . 22.9 mt -82.89 142.94 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 44' ' ' ARG . 23.9 pt -123.16 -34.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.402 ' N ' HG13 ' A' ' 25' ' ' ILE . 20.8 m-70 -150.86 152.65 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.5 p90 -133.23 121.03 21.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -101.1 -169.12 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.1 140.93 50.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -62.99 139.62 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.22 137.76 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.38 -10.27 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -117.88 20.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.68 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.58 -79.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.91 -145.83 4.21 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.429 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 18.4 mmtt -57.72 130.42 46.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.18 88.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.94 -152.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 4.1 mm -122.36 148.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.431 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.9 mm -104.91 122.85 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.628 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 82.3 mt -111.09 120.97 44.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.275 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.513 ' HA ' HD23 ' A' ' 48' ' ' LEU . 83.9 tt0 -112.81 125.12 54.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.436 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 HD23 ' A' ' 24' ' ' LEU . 20.6 p -104.6 164.08 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 111.165 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.566 ' HA ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -60.15 -13.07 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.998 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.431 ' OE1' ' NH2' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -104.47 30.63 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 54.38 48.35 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HB3' HG23 ' A' ' 43' ' ' THR . 10.3 ttm-85 -104.84 104.11 13.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 42' ' ' GLU . 12.5 mt -107.02 96.99 6.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CE2' ' HD3' ' A' ' 47' ' ' ARG . 27.9 m-85 -114.31 165.43 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 7.0 m -113.47 106.67 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.51 146.66 32.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -77.99 134.11 64.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.23 -27.64 31.01 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.781 2.321 . . . . 0.0 112.385 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.13 -39.67 94.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 13.7 mt-10 -48.54 128.27 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.83 -53.69 55.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.378 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.752 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 7.4 p-90 -50.54 -20.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.959 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 62' ' ' MET . 75.4 t -88.31 -42.68 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.474 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 13.9 mttt -55.96 -54.91 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.854 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.54 -43.28 77.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.348 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -39.62 41.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 64.2 mtm -71.18 -58.27 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.698 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -49.29 -23.07 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.015 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -74.99 -61.96 1.71 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.915 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 65' ' ' LEU . 7.7 mt -56.06 -18.13 8.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.665 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.786 0.327 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tt -129.34 139.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -126.67 129.42 48.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 96.2 m -77.0 80.94 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.467 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 11.9 t -73.08 -45.11 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' A' ' 13' ' ' SER . 8.2 mmpt? -143.12 -172.88 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.784 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -108.75 162.26 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -110.95 -168.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.23 146.76 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.587 HG22 ' HD2' ' A' ' 20' ' ' PRO . 6.8 mt -148.8 142.67 16.37 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.69 ' HB2' HD23 ' A' ' 23' ' ' LEU . 37.4 Cg_exo -58.76 128.76 29.28 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.406 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.01 -20.72 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' C ' HD22 ' A' ' 23' ' ' LEU . . . -68.49 -6.47 25.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.161 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.69 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -104.47 -16.63 15.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.661 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 41' ' ' LEU . 71.0 mt -81.28 139.4 35.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' A' ' 44' ' ' ARG . 30.5 pt -122.73 -34.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.535 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 25' ' ' ILE . 2.3 m-70 -149.28 150.2 32.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 1.5 p90 -135.08 140.99 45.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.687 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.482 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -131.64 162.82 29.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.072 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 122.54 36.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -42.1 133.04 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' SER . 23.1 mt-30 -65.52 111.83 3.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 81.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' GLN . 25.2 p 176.3 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.03 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 145.48 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.71 -167.43 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.4 156.07 19.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 85.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -124.23 -157.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 3.5 mm -124.02 148.91 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.194 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.482 ' HB ' ' HG2' ' A' ' 28' ' ' GLN . 20.6 mm -104.68 118.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.886 HD12 ' CH2' ' A' ' 57' ' ' TRP . 14.3 mt -105.23 128.79 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.272 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.498 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 23.0 tt0 -120.57 131.8 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.576 ' CG2' ' CG ' ' A' ' 47' ' ' ARG . 47.7 p -105.04 171.9 7.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 111.406 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.522 ' HB3' HG21 ' A' ' 25' ' ' ILE . 6.7 ptp180 -75.01 0.66 15.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.98 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 46' ' ' HIS . 6.1 mt-30 -104.23 -3.4 24.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 9.4 m-70 86.21 35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.529 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.647 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.88 142.42 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.608 179.441 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 47' ' ' ARG . 7.6 mt -131.86 116.34 17.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CE1' ' HD3' ' A' ' 47' ' ' ARG . 7.5 m-85 -133.59 129.67 37.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -76.52 105.55 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.572 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -107.2 130.04 54.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -75.96 137.42 69.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 50.6 Cg_exo -53.18 -21.69 17.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -24.22 66.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HB2' HG23 ' A' ' 58' ' ' VAL . 24.0 mt-10 -70.84 130.36 41.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.517 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -58.04 -54.98 40.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.886 ' CH2' HD12 ' A' ' 41' ' ' LEU . 7.3 p-90 -51.61 -19.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.509 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.572 HG21 ' HB1' ' A' ' 51' ' ' ALA . 99.8 t -88.39 -42.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 37.1 mttm -59.37 -49.55 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.402 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' CB ' HE22 ' A' ' 56' ' ' GLN . 22.0 t0 -72.29 -46.27 56.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -48.43 -39.63 23.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mtm -73.31 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.681 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -45.0 -26.41 0.42 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -75.18 -51.14 14.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 mt -65.21 -23.49 67.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -134.98 117.11 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' THR . 12.0 t -110.18 122.97 48.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.84 63.46 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.03 -177.75 5.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.82 145.42 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -92.45 -175.13 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.474 ' O ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.84 175.94 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -54.03 148.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.532 HD13 HH11 ' A' ' 47' ' ' ARG . 18.4 mt -148.78 137.77 12.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.433 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 41.6 Cg_exo -55.56 132.03 49.7 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.823 2.349 . . . . 0.0 112.356 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG11 ' HB3' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -68.91 -22.75 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -12.15 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 22.0 mt -104.93 -20.15 13.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 41' ' ' LEU . 16.6 mt -75.93 136.38 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.574 HD11 ' HG2' ' A' ' 42' ' ' GLU . 23.1 pt -106.65 -41.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -161.25 164.05 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.023 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 5.1 p90 -130.57 147.12 52.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.532 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -120.62 -166.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.46 100.76 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.495 ' OD1' HG23 ' A' ' 10' ' ' ILE . 35.3 t30 -43.24 137.5 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -66.23 122.96 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 84.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 p -173.51 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.93 132.05 54.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.753 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -117.88 12.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -130.2 150.76 51.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 85.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.2 -166.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mm -107.84 152.61 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.532 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.0 mm -104.98 129.2 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.645 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 58.4 mt -118.39 117.4 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.597 ' HG3' HD21 ' A' ' 48' ' ' LEU . 46.1 tt0 -111.82 126.86 55.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.554 HG23 ' HB3' ' A' ' 47' ' ' ARG . 19.6 p -104.23 163.74 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.976 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -14.11 5.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -104.04 33.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.601 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 51.01 49.84 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HB3' HG23 ' A' ' 43' ' ' THR . 6.9 ttm180 -104.55 103.21 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.597 HD21 ' HG3' ' A' ' 42' ' ' GLU . 19.1 mt -107.48 105.01 14.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 35.4 m-85 -122.14 151.09 41.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.42 100.88 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.25 125.64 51.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 135.65 95.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 35.5 Cg_endo -64.43 -6.97 12.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.867 2.378 . . . . 0.0 112.434 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -14.55 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB2' HG23 ' A' ' 58' ' ' VAL . 26.5 mt-10 -82.33 132.28 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.6 -49.3 78.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.335 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.648 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.3 p-90 -50.65 -20.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.009 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.522 HG23 ' HB2' ' A' ' 55' ' ' GLU . 59.3 t -88.47 -43.33 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.794 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 49.6 mttt -66.95 -40.91 87.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.251 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CB ' HE22 ' A' ' 56' ' ' GLN . 1.3 m-20 -74.17 -42.94 59.11 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.029 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.81 -46.64 59.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.501 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.4 mtm -67.07 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.524 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -45.01 -28.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.492 ' HB3' HG11 ' A' ' 21' ' ' VAL . 77.6 t60 -75.64 -52.09 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.476 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.52 -25.23 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.765 0.317 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.2 tt -135.09 129.21 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -125.22 171.08 10.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 77.3 m -109.21 33.72 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 21.1 t -59.22 88.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' SER . 13.1 tptt 85.7 150.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.764 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.0 mmt -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -75.78 -168.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -105.35 -173.49 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.01 143.02 49.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.6 mt -145.27 137.13 13.02 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 37.3 Cg_endo -67.0 124.5 12.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.262 . . . . 0.0 112.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 p -52.78 -24.45 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.66 -11.81 28.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -104.98 -19.1 13.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD23 HG22 ' A' ' 43' ' ' THR . 12.1 mt -73.05 126.93 31.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 44' ' ' ARG . 32.8 pt -106.71 -28.14 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 142.53 16.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 20.2 p90 -120.35 105.88 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -93.76 -175.46 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 138.63 53.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.787 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.804 ' HA ' HD11 ' A' ' 40' ' ' ILE . 28.1 t-20 -58.41 142.04 49.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.99 128.29 34.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -65.45 82.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 163.64 -24.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.2 m -108.96 146.9 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 35.95 -147.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.573 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 153.65 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.707 0.289 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 76.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.66 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -113.24 -167.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.0 mm -106.88 153.53 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.205 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.804 HD11 ' HA ' ' A' ' 30' ' ' ASN . 2.4 mm -104.85 127.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.694 HD12 ' CH2' ' A' ' 57' ' ' TRP . 7.6 mt -114.14 121.37 43.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 63.8 tt0 -116.01 126.53 53.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.699 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.593 HG22 HD23 ' A' ' 24' ' ' LEU . 24.3 p -104.64 166.26 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.564 ' HA ' HD13 ' A' ' 25' ' ' ILE . 8.0 ptm180 -66.13 -8.52 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -104.18 22.42 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.781 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 62.8 46.42 5.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.649 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 4.8 ttm-85 -104.44 102.31 11.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 2.2 mt -109.86 109.11 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.649 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.2 m-85 -133.81 -179.83 5.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 2.4 m -117.56 116.12 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.528 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -108.81 159.09 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -90.6 126.32 56.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 51.3 Cg_exo -53.57 -19.69 14.45 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 4.3 mmtp -79.35 -20.67 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -62.2 129.39 40.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -56.42 -57.36 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.234 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.694 ' CH2' HD12 ' A' ' 41' ' ' LEU . 20.7 p-90 -53.54 -19.16 3.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.522 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG21 ' HB1' ' A' ' 51' ' ' ALA . 71.2 t -88.27 -35.91 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 53.5 mttt -66.84 -51.7 52.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 110.046 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' CB ' HE22 ' A' ' 56' ' ' GLN . 56.5 t0 -69.03 -46.57 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.223 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -47.74 -47.26 30.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.0 110.349 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.9 mtm -70.54 -57.67 4.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.512 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.56 -26.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 109.899 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 61' ' ' ALA . 6.7 t60 -74.52 -56.25 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.96 -35.26 74.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.905 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.497 HD22 HG22 ' A' ' 10' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.875 0.369 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' ILE . 4.6 tt -132.2 90.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -104.9 135.12 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 20.7 m -90.77 59.1 4.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.99 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -75.13 -12.9 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.01 153.21 33.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 132.95 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 17' ' ' SER . 3.5 t -73.54 -169.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 16' ' ' THR . 0.7 OUTLIER -104.85 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -78.24 111.96 14.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 13.2 mt -111.93 138.65 21.73 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 19.4 Cg_endo -58.31 125.23 17.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.835 2.357 . . . . 0.0 112.255 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 24' ' ' LEU . 1.5 t -59.78 -21.78 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.2 -16.59 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.72 -26.85 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 21' ' ' VAL . 17.4 mt -58.22 130.46 46.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.634 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.535 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 8.8 pt -112.37 -36.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.5 m-70 -151.25 155.35 38.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.008 0.432 . . . . 0.0 111.378 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.891 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.4 p90 -135.15 139.96 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.64 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.85 172.01 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.87 0.367 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.6 tt0 -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' CB ' ' A' ' 34' ' ' CYS . 40.7 t-20 -36.92 129.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -49.17 152.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -75.39 54.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.9 p 159.43 42.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -116.16 -74.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.18 -128.32 2.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -87.53 178.06 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.842 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 64.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -110.57 -175.57 2.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.571 HG22 ' N ' ' A' ' 40' ' ' ILE . 4.5 mm -114.82 161.94 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.571 ' N ' HG22 ' A' ' 39' ' ' ILE . 11.0 mm -111.68 127.72 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.714 HD12 ' CH2' ' A' ' 57' ' ' TRP . 15.3 mt -117.47 131.85 56.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 29.9 tt0 -124.96 123.72 40.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.767 HG23 ' HB3' ' A' ' 47' ' ' ARG . 1.8 p -105.0 161.18 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.058 0.456 . . . . 0.0 111.553 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.535 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -56.63 -13.79 2.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.669 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -103.92 33.11 3.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 52.59 47.77 23.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HB3' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -104.5 100.52 10.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.709 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 ' CD2' ' HB2' ' A' ' 42' ' ' GLU . 15.2 mt -104.93 93.65 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 3.2 m-85 -123.25 153.04 40.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 56.1 m -91.94 129.99 37.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.615 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -123.84 135.95 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.98 127.57 91.55 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HG3' HG12 ' A' ' 39' ' ' ILE . 51.6 Cg_exo -54.13 -22.42 25.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.782 2.321 . . . . 0.0 112.203 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.95 -10.83 59.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 40.0 mt-10 -76.39 133.24 39.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.25 -61.14 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.159 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.744 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.5 p-90 -51.53 -18.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.759 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.615 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 57.5 t -87.86 -45.42 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.12 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 22.8 mttm -56.74 -52.34 65.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.011 0.434 . . . . 0.0 110.146 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.35 -47.42 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -44.97 -40.85 6.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.018 0.437 . . . . 0.0 110.301 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.0 mtm -69.61 -55.85 8.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -45.86 -26.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.025 0.441 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -75.85 -54.8 6.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.585 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.891 HD12 ' HB3' ' A' ' 27' ' ' TYR . 4.6 mt -60.44 -29.98 69.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.93 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' CE1' ' A' ' 27' ' ' TYR . 31.0 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.775 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.3 tt -133.96 95.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.375 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.4 m -104.95 103.89 13.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.412 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.6 m -68.72 82.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.336 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -75.41 -19.33 59.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.542 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 -178.53 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.584 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.75 152.49 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 17' ' ' SER . 1.8 t -91.91 -169.94 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 16' ' ' THR . 10.5 p -104.82 174.27 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.781 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -71.2 122.1 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.452 ' O ' ' CE3' ' A' ' 57' ' ' TRP . 16.6 mt -121.07 137.72 27.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -56.06 128.47 30.34 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.77 2.313 . . . . 0.0 112.421 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.826 ' HA ' HD12 ' A' ' 24' ' ' LEU . 8.9 p -64.93 -23.6 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -12.58 19.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -104.69 -21.87 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -73.47 142.87 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 44' ' ' ARG . 44.2 pt -122.75 -26.75 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.453 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.478 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -161.09 147.19 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 39.7 p90 -119.57 124.94 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.523 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -103.87 -177.09 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.97 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' C ' HG12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -120.42 153.08 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 8.1 t-20 -86.68 150.34 24.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.49 ' OE1' ' N ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -76.8 149.04 36.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.03 45.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.193 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.1 p -131.5 37.94 3.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 11' ' ' THR . 30.7 m -135.24 45.59 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.8 -138.52 13.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 128.29 34.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.318 . . . . 0.0 110.841 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 89.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' ASN . . . -123.58 -162.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 13.9 mm -112.49 154.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.523 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 10.0 mm -105.03 142.9 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 29.3 mt -125.71 116.71 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 61.4 tt0 -112.73 124.02 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.569 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.642 HG22 HD23 ' A' ' 24' ' ' LEU . 20.3 p -104.95 164.63 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.381 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 25' ' ' ILE . 13.7 ptp180 -60.04 -13.56 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.2 30.81 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 53.85 49.25 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 10.4 ttt-85 -104.74 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 43.9 mt -110.09 110.63 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.777 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.6 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 21.5 m-85 -133.12 155.65 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.8 m -96.49 99.79 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.712 ' HB1' ' OE1' ' A' ' 55' ' ' GLU . . . -105.31 140.26 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.001 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.95 139.56 85.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.36 -11.56 30.81 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.864 2.376 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -18.67 56.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.712 ' OE1' ' HB1' ' A' ' 51' ' ' ALA . 62.3 mt-10 -67.43 129.79 41.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.538 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -56.74 -57.96 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.096 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.703 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 11.3 p-90 -50.57 -17.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.004 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.536 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 93.4 t -88.01 -38.08 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.416 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 44.9 mttt -64.41 -48.53 75.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.873 0.368 . . . . 0.0 110.201 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.504 ' OD2' ' NE2' ' A' ' 56' ' ' GLN . 91.0 m-20 -72.68 -44.67 61.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.217 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -47.98 -39.65 20.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.55 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 35.8 mtm -71.49 -61.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -44.75 -27.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.766 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -73.03 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.58 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 26' ' ' HIS . 25.0 mt -65.79 -29.32 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.82 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.46 0.058 0 CA-C-O 120.72 0.295 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.498 HD13 HD12 ' A' ' 40' ' ' ILE . 6.0 tt -124.76 142.95 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.913 0.387 . . . . 0.0 111.539 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -134.43 138.8 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.637 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.4 m -99.77 71.3 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -32.88 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 155.67 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.1 176.87 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -128.79 -179.24 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -105.8 -177.58 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -58.48 150.19 23.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.564 HG23 ' HD2' ' A' ' 20' ' ' PRO . 40.6 mt -148.16 139.21 13.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 19' ' ' ILE . 11.5 Cg_endo -54.49 124.47 16.19 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.954 2.436 . . . . 0.0 112.29 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -68.06 -20.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' C ' HD23 ' A' ' 23' ' ' LEU . . . -64.54 -10.05 23.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 22' ' ' ALA . 6.1 mt -104.74 -20.03 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.89 ' HB3' HD11 ' A' ' 65' ' ' LEU . 85.9 mt -68.2 130.08 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 44' ' ' ARG . 47.3 pt -120.84 -28.85 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.69 142.9 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 10.7 p90 -124.12 146.85 48.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.48 163.08 29.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -100.73 146.51 27.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -75.51 142.35 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.8 mm-40 -90.58 131.1 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -59.72 80.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.77 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.91 119.52 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.29 43.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.7 170.36 9.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.802 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 86.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -127.77 -157.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 4.8 mm -131.62 153.36 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.498 HD12 HD13 ' A' ' 10' ' ' ILE . 8.4 mm -108.8 131.78 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.642 HD12 ' CH2' ' A' ' 57' ' ' TRP . 36.8 mt -117.11 121.56 41.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 36.5 tt0 -110.7 126.03 54.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 47' ' ' ARG . 14.4 p -104.34 163.62 12.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.962 0.411 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.754 ' HA ' HD13 ' A' ' 25' ' ' ILE . 1.8 ptt180 -55.42 -16.06 3.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.93 35.46 2.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 49.09 49.91 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -104.65 102.96 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 77.9 mt -107.57 102.81 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.614 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 7.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.94 98.19 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 128.59 53.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 137.29 97.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 41.2 Cg_endo -67.12 -4.49 11.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.785 2.323 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -23.67 39.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.017 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.51 135.17 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -61.08 -47.48 86.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.44 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.642 ' CH2' HD12 ' A' ' 41' ' ' LEU . 10.9 p-90 -50.88 -20.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.053 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.5 t -88.77 -37.52 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 53' ' ' PRO . 2.3 mttt -68.76 -43.22 76.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' OD2' ' NE2' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -75.04 -42.55 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.198 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -53.36 -44.58 68.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.698 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 27.1 mtm -71.12 -53.13 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.697 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -30.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.67 -56.04 5.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.778 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.89 HD11 ' HB3' ' A' ' 24' ' ' LEU . 84.4 mt -57.34 -27.03 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.917 0.389 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 48' ' ' LEU . 5.6 tt -135.04 121.86 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.233 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.06 134.99 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.651 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.0 m -91.5 55.39 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -75.21 -33.62 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.53 155.3 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.3 mmt -102.51 160.8 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 17' ' ' SER . 1.6 t -107.34 -168.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 16' ' ' THR . 0.3 OUTLIER -104.78 -177.55 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -72.63 137.14 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.659 HD12 ' CH2' ' A' ' 57' ' ' TRP . 8.8 mt -134.57 139.52 32.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.525 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 9.5 Cg_endo -51.53 131.79 38.18 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.844 2.363 . . . . 0.0 112.036 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG13 ' HA ' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -61.36 -23.13 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.78 -4.28 23.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HG ' ' HG2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -104.79 -3.9 22.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.093 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 HG22 ' A' ' 43' ' ' THR . 76.5 mt -97.73 133.33 42.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.988 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' HG2' ' A' ' 42' ' ' GLU . 13.6 pt -105.1 -29.94 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.446 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -160.2 162.08 33.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.649 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.0 p90 -132.39 146.21 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.2 162.57 36.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 145.7 27.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.96 168.0 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 18.3 mt-30 -100.84 155.15 18.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -4.05 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -100.38 14.79 29.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 31' ' ' GLN . 4.0 m -125.43 -157.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 -161.96 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 158.87 0.4 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -74.52 73.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -107.04 -172.9 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mm -111.29 148.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.088 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 48' ' ' LEU . 3.3 mm -105.85 119.21 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.922 HD12 ' CH2' ' A' ' 57' ' ' TRP . 64.3 mt -104.98 130.21 53.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.996 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' A' ' 25' ' ' ILE . 4.1 tt0 -104.48 127.38 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.72 HG22 HD23 ' A' ' 24' ' ' LEU . 64.6 p -104.44 168.54 9.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' HA ' HG21 ' A' ' 25' ' ' ILE . 11.5 mtm180 -59.43 -17.29 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -104.67 32.53 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 48.67 49.78 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.638 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -107.37 126.53 52.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 10' ' ' ILE . 9.5 mt -107.64 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 47' ' ' ARG . 7.3 m-85 -111.71 129.87 55.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.97 82.14 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.51 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.573 ' CB ' HG21 ' A' ' 58' ' ' VAL . . . -104.95 123.3 47.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.239 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.5 138.8 75.68 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 71.2 Cg_exo -47.9 -20.52 2.05 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.768 2.312 . . . . 0.0 112.573 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -70.56 -49.08 51.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.967 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' OE2' ' HA ' ' A' ' 51' ' ' ALA . 41.6 mt-10 -38.3 129.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.543 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.43 -56.74 18.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.527 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.922 ' CH2' HD12 ' A' ' 41' ' ' LEU . 5.0 p-90 -50.08 -18.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.573 HG21 ' CB ' ' A' ' 51' ' ' ALA . 68.0 t -88.09 -41.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -66.34 -48.08 71.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.423 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' CB ' HE22 ' A' ' 56' ' ' GLN . 7.6 m-20 -70.5 -43.86 68.81 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.222 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.32 -44.84 44.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtp -68.35 -49.58 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.84 -33.06 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -75.82 -49.78 17.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.554 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.649 HD12 ' HB3' ' A' ' 27' ' ' TYR . 5.9 mt -58.64 -32.59 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.847 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 10' ' ' ILE . 2.6 p30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.907 0.384 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.442 ' N ' ' CG ' ' A' ' 9' ' ' ASN . 5.5 tt -135.14 129.18 50.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.396 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 11' ' ' THR . 14.7 t -122.62 110.11 15.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 5.0 m -69.78 63.28 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -70.51 -48.9 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.57 164.65 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.426 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -88.26 156.68 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.078 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 t -104.55 -172.87 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' ILE . 3.6 m -104.81 161.65 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.508 ' HG2' ' CB ' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -50.04 135.74 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.487 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 14.7 mt -131.83 130.24 22.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 73.7 Cg_exo -47.52 121.62 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.733 2.289 . . . . 0.0 112.366 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.33 -24.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -7.5 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HA ' ' CD ' ' A' ' 44' ' ' ARG . 11.6 mt -104.52 -18.65 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.572 HD12 ' HB1' ' A' ' 61' ' ' ALA . 90.3 mt -78.26 126.56 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.798 HG23 ' HG3' ' A' ' 44' ' ' ARG . 3.2 pt -111.61 -30.02 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -147.32 141.39 26.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.957 0.408 . . . . 0.0 111.308 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 12.0 p90 -122.3 116.4 24.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -109.18 -172.97 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.235 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.9 140.91 52.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.651 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HA ' HD11 ' A' ' 40' ' ' ILE . 66.8 t30 -62.95 155.99 25.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -93.15 143.26 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.63 60.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.78 36.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -134.98 -89.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.89 -116.47 2.4 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 7.7 mmtm -98.72 141.45 31.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 1.3 ptt85 -61.32 90.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.83 -163.25 1.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.318 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 40' ' ' ILE . 8.5 mm -113.97 153.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.454 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 4.8 mm -104.8 125.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.979 HD12 ' CH2' ' A' ' 57' ' ' TRP . 7.9 mt -113.32 115.79 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 25.1 tt0 -106.75 129.33 54.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 23.4 p -104.58 166.9 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.798 ' HG3' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -63.34 -10.78 18.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -104.78 21.57 16.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 63.1 45.9 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.721 ' C ' HD23 ' A' ' 48' ' ' LEU . 2.4 ttt85 -104.91 108.03 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.721 HD23 ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -110.29 107.01 16.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 33.0 m-85 -123.83 147.17 47.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 4.4 m -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -111.84 143.72 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -84.44 125.2 72.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 76.8 Cg_exo -49.57 -20.82 4.57 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.666 2.244 . . . . 0.0 112.25 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -62.39 -33.08 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 23.8 mt-10 -71.22 134.23 46.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.19 -51.68 68.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.979 ' CH2' HD12 ' A' ' 41' ' ' LEU . 7.2 p-90 -48.83 -21.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 111.111 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.502 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 83.9 t -88.36 -44.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.05 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 10.8 mttt -65.17 -41.55 94.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.402 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.06 -45.03 44.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.06 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -51.39 -48.83 62.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.605 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 mtp -66.53 -53.39 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.48 -28.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 109.855 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -75.41 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.63 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 65' ' ' LEU . 21.4 mt -58.86 -21.13 56.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.721 0.296 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -135.29 117.53 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -115.11 134.09 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.39 66.15 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -30.57 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -179.26 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.4 128.72 56.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 17' ' ' SER . 1.6 t -70.01 -171.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 16' ' ' THR . 34.4 m -106.57 -176.97 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.939 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HG2' ' HB2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -61.82 152.96 30.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.71 HG23 ' HD2' ' A' ' 20' ' ' PRO . 84.9 mt -150.08 142.77 15.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.968 ' CB ' HD13 ' A' ' 23' ' ' LEU . 9.8 Cg_endo -50.64 130.23 29.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.09 2.527 . . . . 0.0 112.598 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.637 HG22 ' CE1' ' A' ' 64' ' ' HIS . 5.3 p -67.8 -37.88 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.82 3.6 9.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.968 HD13 ' CB ' ' A' ' 20' ' ' PRO . 2.0 mp -103.98 -10.15 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.657 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.85 141.13 29.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.643 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.531 HG13 ' N ' ' A' ' 26' ' ' HIS . 45.7 pt -119.32 -37.27 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.656 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.531 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -141.94 144.92 33.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.992 0.425 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.442 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.7 p90 -135.19 130.74 35.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.516 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.94 173.99 10.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.51 136.83 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.401 ' CB ' HD11 ' A' ' 40' ' ' ILE . 4.0 p-10 -72.53 -172.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -100.11 139.98 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.48 -4.45 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -105.91 15.17 27.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -134.69 113.19 11.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.13 -142.29 23.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 152.17 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -68.19 86.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.1 -160.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 3.4 mm -117.29 153.88 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.411 ' N ' HG22 ' A' ' 39' ' ' ILE . 19.9 mm -105.32 113.31 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 ' CH2' ' A' ' 57' ' ' TRP . 21.1 mt -106.01 124.82 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 39.9 tt0 -112.3 130.48 55.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.524 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 24.1 p -104.55 165.67 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.23 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 9.7 ptp180 -63.37 -11.66 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -104.6 25.87 9.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 58.19 47.39 14.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.787 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 1.4 ttm180 -104.72 107.89 19.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.5 mt -108.15 103.88 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 36.2 m-85 -126.28 141.98 51.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 18.4 m -84.06 105.66 15.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -108.17 120.63 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -62.84 135.96 96.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 36.1 Cg_exo -57.19 -25.54 64.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.795 2.33 . . . . 0.0 112.382 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 18.1 mmtp -66.6 -28.05 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.47 129.38 39.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.538 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.05 -61.44 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.291 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.755 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 7.8 p-90 -44.82 -23.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.506 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.713 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 61.6 t -87.79 -47.83 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.692 0.282 . . . . 0.0 111.023 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 63.7 mttt -52.31 -55.04 24.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 109.978 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' CB ' HE22 ' A' ' 56' ' ' GLN . 11.2 t70 -66.78 -44.06 82.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.228 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.755 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.43 -47.25 56.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mtm -68.56 -54.21 18.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.672 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -51.98 -22.05 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.097 0.475 . . . . 0.0 109.737 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.637 ' CE1' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.78 -64.62 0.96 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.403 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.625 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 10.0 mt -48.08 -57.67 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.0 tt -135.08 124.89 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' SER . 8.9 t -111.31 119.61 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 60.7 m -67.13 64.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' THR . 27.1 m -75.13 -13.65 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.03 -170.29 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.814 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.407 ' CE ' ' OD1' ' A' ' 52' ' ' ASP . 13.2 mmt -130.78 136.26 48.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 t -81.06 -175.09 5.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.2 m -104.85 165.25 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.17 111.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.598 HG22 ' HD2' ' A' ' 20' ' ' PRO . 2.1 mt -108.74 141.21 22.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HD2' HG22 ' A' ' 19' ' ' ILE . 46.1 Cg_exo -54.96 124.77 17.11 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.776 2.318 . . . . 0.0 112.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.79 -24.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.89 -6.72 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 78.0 mt -104.9 -17.36 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.758 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 HG22 ' A' ' 43' ' ' THR . 42.1 mt -78.94 138.96 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 46.2 pt -116.09 -30.91 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.45 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -167.85 150.82 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.062 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 54.2 p90 -112.51 -173.19 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.472 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 17.2 mt-30 -157.07 162.58 39.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.64 102.26 11.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.453 ' ND2' ' HB2' ' A' ' 34' ' ' CYS . 7.6 t30 -57.55 138.05 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.66 164.52 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.89 -1.94 24.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.298 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -107.3 13.65 26.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.453 ' HB2' ' ND2' ' A' ' 30' ' ' ASN . 3.2 m -122.1 112.01 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.57 -119.75 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.38 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 149.19 27.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.737 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 87.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -123.2 -160.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.1 mm -121.7 150.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 3.7 mm -105.01 131.77 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.921 HD12 ' CH2' ' A' ' 57' ' ' TRP . 5.1 mt -113.75 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.515 ' HG3' HD23 ' A' ' 48' ' ' LEU . 18.7 tt0 -110.78 128.93 55.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.67 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 HD23 ' A' ' 24' ' ' LEU . 19.2 p -104.78 167.11 9.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.972 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 11.7 ptp180 -68.18 -7.01 26.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 1.4 tt0 -105.02 18.05 23.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 33.5 m-70 66.66 44.41 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.562 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 1.3 ttm-85 -105.11 110.94 23.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD23 ' HG3' ' A' ' 42' ' ' GLU . 1.6 mt -112.48 113.23 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 38.4 m-85 -132.34 160.82 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 m -103.63 110.53 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.97 139.66 44.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -67.87 129.29 93.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.47 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 19.7 Cg_endo -60.74 -12.55 22.15 Favored 'Trans proline' 0 C--N 1.34 0.093 0 C-N-CA 122.786 2.324 . . . . 0.0 112.335 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -33.4 53.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.583 ' HB2' HG23 ' A' ' 58' ' ' VAL . 5.8 mt-10 -61.44 132.35 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.526 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.49 -50.6 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.921 ' CH2' HD12 ' A' ' 41' ' ' LEU . 6.5 p-90 -47.07 -22.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.049 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.583 HG23 ' HB2' ' A' ' 55' ' ' GLU . 40.8 t -88.53 -51.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.327 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 79.6 mttt -55.15 -43.6 74.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.27 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' CB ' HE22 ' A' ' 56' ' ' GLN . 1.0 OUTLIER -75.33 -43.07 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.05 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -53.27 -36.24 60.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 62.5 mtm -74.23 -60.34 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.487 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -44.85 -27.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -75.53 -59.18 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.896 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 26' ' ' HIS . 18.3 mt -53.71 -25.04 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.4 tt -134.85 123.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.26 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 t -113.64 151.31 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 94.5 m -105.28 72.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -36.54 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -141.75 -179.65 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmt -107.47 163.37 13.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -111.82 -166.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -104.79 -173.23 2.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' HG3' ' HB3' ' A' ' 57' ' ' TRP . 6.9 tttt -71.94 144.13 49.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 20' ' ' PRO . 69.4 mt -139.44 140.36 25.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 19' ' ' ILE . 13.8 Cg_endo -56.82 119.08 6.07 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.834 2.356 . . . . 0.0 112.3 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG23 HD12 ' A' ' 24' ' ' LEU . 8.0 p -58.88 -20.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' C ' HD23 ' A' ' 23' ' ' LEU . . . -64.48 -9.91 21.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.545 ' CD1' ' HG2' ' A' ' 20' ' ' PRO . 4.0 mt -105.06 -20.43 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 21' ' ' VAL . 81.4 mt -67.77 133.11 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.582 ' CG2' ' CG ' ' A' ' 44' ' ' ARG . 17.6 pt -116.58 -35.18 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.97 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.523 ' N ' HG13 ' A' ' 25' ' ' ILE . 2.4 m-70 -166.67 148.91 6.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -117.16 143.51 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.8 169.11 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -112.21 106.6 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.26 152.96 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 3.7 mm-40 -83.43 141.78 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.85 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -83.43 -9.79 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 31' ' ' GLN . 3.6 m -111.18 135.63 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.55 -139.2 0.36 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.66 162.41 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -67.53 86.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -123.21 -166.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 mm -125.55 151.69 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 mm -104.75 141.1 20.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.548 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 87.1 mt -127.23 118.48 24.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.127 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 21.2 tt0 -106.06 131.23 53.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 47' ' ' ARG . 30.9 p -104.33 168.47 9.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.872 0.368 . . . . 0.0 111.377 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.582 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 39.6 mtp180 -60.5 -13.72 15.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.42 20.44 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 61.38 49.15 5.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.566 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.78 108.78 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 82.3 mt -105.69 117.23 33.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 13.5 m-85 -127.17 162.81 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.28 95.87 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.55 138.12 42.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.63 138.45 85.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.7 -20.35 57.98 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.826 2.35 . . . . 0.0 112.289 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -73.15 -28.92 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 44.9 mt-10 -56.24 132.13 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -57.43 -57.16 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 9.0 p-90 -53.19 -17.64 1.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 86.7 t -88.48 -35.85 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -67.76 -48.39 66.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.423 ' CB ' HE22 ' A' ' 56' ' ' GLN . 43.3 t0 -72.92 -44.94 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.58 -43.84 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.9 mtm -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -48.06 -24.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 109.916 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -75.52 -48.29 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.97 -29.19 70.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.777 0.323 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.0 tt -134.91 120.89 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.29 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 9.9 t -105.33 117.56 34.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.699 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 62.9 m -78.31 61.9 2.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -24.04 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -153.76 160.0 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.761 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.401 ' SD ' ' HB2' ' A' ' 52' ' ' ASP . 24.2 mmt -91.89 158.96 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.991 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -105.94 -167.98 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.9 m -104.7 168.59 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' C ' HG13 ' A' ' 19' ' ' ILE . 10.3 tttt -50.8 159.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.487 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 36.4 mt -157.2 138.56 9.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.425 ' HB2' HD23 ' A' ' 23' ' ' LEU . 31.9 Cg_exo -60.42 123.66 13.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.793 2.329 . . . . 0.0 112.289 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.589 HG21 ' CD2' ' A' ' 64' ' ' HIS . 7.4 p -56.05 -22.37 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.14 -10.19 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.178 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.516 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -104.48 -21.31 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.7 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 23.2 mt -75.2 133.74 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.671 HD13 ' HA ' ' A' ' 44' ' ' ARG . 17.3 pt -121.83 -29.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.22 150.93 20.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.211 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 2.1 p90 -134.91 147.65 49.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -133.28 179.15 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.086 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -110.31 141.52 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.86 172.16 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' SER . 59.0 mt-30 -113.99 132.11 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -60.15 82.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.482 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.03 -30.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -105.4 139.99 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.68 -114.69 0.97 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.644 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 166.3 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 89.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.738 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.699 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -128.65 -162.0 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.518 ' CG1' ' HG3' ' A' ' 53' ' ' PRO . 3.2 mm -122.63 153.4 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.541 HD12 HG21 ' A' ' 10' ' ' ILE . 5.4 mm -104.7 126.24 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.916 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.543 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -116.14 127.9 55.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.439 . . . . 0.0 111.159 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -119.57 128.2 53.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.592 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.655 HG22 HD23 ' A' ' 24' ' ' LEU . 21.1 p -104.71 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.671 ' HA ' HD13 ' A' ' 25' ' ' ILE . 22.0 ptt180 -68.27 -6.6 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -104.59 19.06 21.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 70.3 m-70 65.44 44.99 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 7.0 ttt-85 -104.9 106.2 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 30.5 mt -111.79 112.39 24.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 22.0 m-85 -135.07 167.69 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.011 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -107.19 117.69 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.459 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -119.3 137.08 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.068 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 6.6 t70 -74.42 129.55 83.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 53.4 Cg_exo -52.03 -20.17 9.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -71.59 -21.06 61.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 43.9 mt-10 -69.29 131.02 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.3 OUTLIER -56.99 -55.23 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.498 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.681 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 13.7 p-90 -53.93 -16.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.6 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.459 HG21 ' HB1' ' A' ' 51' ' ' ALA . 49.1 t -88.06 -37.35 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -66.35 -50.31 63.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.136 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' CB ' HE22 ' A' ' 56' ' ' GLN . 36.1 t70 -70.75 -42.57 70.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.7 ' HB1' ' CD1' ' A' ' 24' ' ' LEU . . . -51.64 -41.65 61.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.757 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.8 mtm -73.79 -63.68 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -26.16 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 109.953 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.589 ' CD2' HG21 ' A' ' 21' ' ' VAL . 47.4 t60 -75.17 -56.97 4.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -45.39 -37.97 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.891 0.377 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.8 tt -131.85 117.16 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.022 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 11' ' ' THR . 7.8 t -104.78 98.19 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.02 76.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.81 -50.57 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -119.13 -175.62 2.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.9 mmt -118.53 131.74 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -72.34 -170.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' HG13 ' A' ' 19' ' ' ILE . 9.0 m -105.17 165.88 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.534 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -57.43 134.08 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.983 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.841 HD12 ' CH2' ' A' ' 57' ' ' TRP . 3.0 mt -132.48 142.17 43.9 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.654 ' HD2' HG22 ' A' ' 19' ' ' ILE . 39.0 Cg_exo -56.21 137.12 78.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG13 ' HA ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -68.99 -23.21 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.27 -8.67 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 15.5 mt -104.65 -18.74 14.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.811 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD12 ' HB1' ' A' ' 61' ' ' ALA . 21.4 mt -78.3 149.36 33.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.601 HD11 ' CD ' ' A' ' 42' ' ' GLU . 23.8 pt -125.45 -36.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.404 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.682 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -150.71 159.92 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 111.277 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 17.8 p90 -132.63 145.25 50.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.633 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -145.22 163.28 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.17 159.56 14.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.19 161.06 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 33' ' ' SER . 51.6 mt-30 -86.65 121.37 29.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -57.09 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 163.31 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 130.75 53.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.89 -159.17 0.11 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 158.76 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 87.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.437 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -118.32 -164.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 40' ' ' ILE . 9.8 mm -126.71 153.72 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 39' ' ' ILE . 4.7 mm -108.66 121.13 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.051 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.979 HD12 ' CH2' ' A' ' 57' ' ' TRP . 12.5 mt -106.27 125.5 51.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.601 ' CD ' HD11 ' A' ' 25' ' ' ILE . 31.6 tt0 -104.71 128.8 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 24' ' ' LEU . 14.2 p -104.5 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.985 0.421 . . . . 0.0 111.161 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.548 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.6 mtm180 -63.92 -12.9 41.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -104.79 18.7 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 61.42 46.25 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.627 ' NE ' ' CZ ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.54 126.91 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.714 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 51.9 mt -108.24 111.42 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CZ ' ' NE ' ' A' ' 47' ' ' ARG . 4.8 m-85 -107.7 134.81 50.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -91.59 86.36 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.277 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.533 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -104.58 131.84 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.414 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.86 142.23 97.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 53.2 Cg_exo -54.18 -19.51 16.6 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.768 2.312 . . . . 0.0 112.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -80.22 -10.56 59.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 16.2 mt-10 -71.91 131.28 42.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.507 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -56.6 -58.4 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.283 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.979 ' CH2' HD12 ' A' ' 41' ' ' LEU . 3.5 p-90 -53.99 -16.67 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.475 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.533 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 74.4 t -88.14 -42.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.706 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -61.03 -51.82 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.279 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CB ' HE22 ' A' ' 56' ' ' GLN . 14.5 t0 -69.18 -45.64 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.597 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.764 ' HB1' HD12 ' A' ' 24' ' ' LEU . . . -48.39 -37.09 16.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.559 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 13.1 mtm -75.13 -62.11 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.839 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -27.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.116 0.484 . . . . 0.0 109.938 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -75.67 -58.77 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.872 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 26' ' ' HIS . 16.0 mt -55.0 -37.48 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.813 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.764 0.316 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.591 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.0 tt -135.18 119.29 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -122.94 152.83 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.803 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 72.2 m -98.7 63.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.437 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.77 -24.99 58.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 13' ' ' SER . 4.5 tptp -147.69 -172.04 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mmt -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -89.08 -169.4 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.9 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -66.16 123.11 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.428 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 28.8 mt -123.26 136.71 27.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.585 ' HB2' HD23 ' A' ' 23' ' ' LEU . 35.3 Cg_exo -58.63 138.64 86.86 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.808 2.339 . . . . 0.0 112.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -25.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.459 ' C ' HD22 ' A' ' 23' ' ' LEU . . . -65.53 -9.24 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.585 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -104.75 -19.97 13.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 HG22 ' A' ' 43' ' ' THR . 19.7 mt -81.97 129.36 34.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.786 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.604 HD11 ' OE2' ' A' ' 42' ' ' GLU . 22.1 pt -113.58 -27.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.06 152.0 30.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.269 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 26.3 p90 -133.5 111.42 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.49 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.429 ' C ' ' HB ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER -97.46 -167.38 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.53 ' CA ' HG12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -132.17 125.46 31.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.815 ' HB2' HD11 ' A' ' 40' ' ' ILE . 8.7 t30 -62.38 129.69 41.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.445 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -50.55 133.2 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -11.96 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.21 18.53 12.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 31' ' ' GLN . 2.7 m -129.25 -153.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -48.19 -179.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.425 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -45.23 142.38 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -63.64 89.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.803 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -114.42 -156.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 9.3 mm -119.93 152.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 30' ' ' ASN . 12.3 mm -105.12 129.73 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD12 ' CH2' ' A' ' 57' ' ' TRP . 6.9 mt -122.91 117.5 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.604 ' OE2' HD11 ' A' ' 25' ' ' ILE . 22.0 tt0 -109.75 124.86 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.721 HG22 HD23 ' A' ' 24' ' ' LEU . 5.5 p -104.46 162.46 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 111.462 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.528 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 6.8 mtp85 -50.07 -19.29 0.7 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.548 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -103.58 40.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 42.91 51.26 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.611 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.621 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 6.1 ttm-85 -104.44 102.39 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD21 ' HG3' ' A' ' 42' ' ' GLU . 21.5 mt -106.63 111.03 23.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 13.3 m-85 -128.46 162.49 27.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -101.72 105.26 16.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.586 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -106.76 132.83 52.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -68.98 131.99 90.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.443 ' HG3' HG12 ' A' ' 39' ' ' ILE . 50.4 Cg_exo -53.57 -19.63 14.34 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.773 2.316 . . . . 0.0 112.245 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -74.2 -37.93 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 15.6 mt-10 -48.77 119.7 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -49.65 -55.85 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.357 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.603 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 20.1 p-90 -51.25 -19.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.451 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.586 HG21 ' HB1' ' A' ' 51' ' ' ALA . 78.9 t -88.36 -39.74 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -61.89 -48.56 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.399 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' CB ' HE22 ' A' ' 56' ' ' GLN . 41.0 t0 -73.84 -46.3 45.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.539 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -51.26 -43.04 61.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.967 0.413 . . . . 0.0 110.689 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -68.3 -56.66 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.78 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.46 -28.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 109.879 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -75.55 -50.89 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.618 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.71 -24.61 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.6 tt -132.61 93.05 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -105.35 115.14 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.595 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 63.4 m -73.94 54.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 t -75.49 -16.65 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.752 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -147.94 124.64 11.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 171.37 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -120.09 -172.32 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -113.7 155.53 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 4.0 mt -145.48 136.41 12.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.436 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 51.6 Cg_exo -52.8 116.48 2.92 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.722 2.281 . . . . 0.0 112.488 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 HD12 ' A' ' 24' ' ' LEU . 5.5 p -60.07 -14.97 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.762 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.64 -12.9 61.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -104.44 -12.17 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.791 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 HG22 ' A' ' 43' ' ' THR . 67.2 mt -79.99 124.07 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.724 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.592 HG21 ' HB3' ' A' ' 44' ' ' ARG . 20.5 pt -109.36 -28.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.26 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.05 141.57 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -113.05 163.57 14.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.508 ' CB ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -141.82 -159.56 0.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.08 127.34 16.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.64 167.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.39 156.19 19.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -6.79 41.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.44 4.74 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' GLY . 9.1 m -116.23 -162.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.831 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -56.77 -150.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.39 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.15 89.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -112.99 -153.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.508 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.5 mm -119.4 150.67 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.067 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.508 ' HB ' ' CB ' ' A' ' 28' ' ' GLN . 14.4 mm -104.88 132.61 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.646 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 52.6 mt -117.88 114.42 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HA ' HD23 ' A' ' 48' ' ' LEU . 29.1 tt0 -110.88 125.58 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.672 HG22 HD23 ' A' ' 24' ' ' LEU . 28.7 p -104.69 166.69 10.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.592 ' HB3' HG21 ' A' ' 25' ' ' ILE . 14.5 ptp180 -63.35 -11.9 26.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.963 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 26.86 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 57.73 48.46 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.53 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 5.4 ttm-85 -104.76 105.74 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 42' ' ' GLU . 79.3 mt -110.83 104.01 12.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.749 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 37.3 m-85 -122.82 162.0 22.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -101.46 120.91 41.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.485 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -125.67 131.49 52.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.32 129.74 83.64 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.508 ' HG3' HG12 ' A' ' 39' ' ' ILE . 36.9 Cg_exo -56.94 -14.7 14.86 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.822 2.348 . . . . 0.0 112.207 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' O ' ' CE ' ' A' ' 59' ' ' LYS . 25.1 mtmt -70.26 -28.23 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -74.31 133.7 42.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.707 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.535 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.11 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.484 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 p-90 -46.87 -22.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.221 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 95.9 t -88.08 -48.7 14.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 54' ' ' LYS . 44.7 mttt -61.81 -40.47 95.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.893 0.378 . . . . 0.0 110.227 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.59 -42.39 61.62 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.821 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.6 -46.73 58.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 64.4 mtm -68.52 -55.42 11.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.688 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -52.34 -21.31 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 109.841 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -74.67 -58.87 3.01 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.806 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.64 -22.01 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.684 ' OD1' HG22 ' A' ' 10' ' ' ILE . 13.7 p30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.684 HG22 ' OD1' ' A' ' 9' ' ' ASN . 5.9 tt -133.59 107.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -105.98 137.1 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 89.3 m -76.82 84.33 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -75.17 -52.76 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 -176.86 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.753 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.404 ' SD ' ' CG ' ' A' ' 52' ' ' ASP . 8.3 mmt -113.24 131.94 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -78.52 -172.09 2.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.15 176.21 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD3' ' HB3' ' A' ' 57' ' ' TRP . 1.6 ttpm? -65.7 77.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 20' ' ' PRO . 30.6 mt -69.59 140.59 89.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 19' ' ' ILE . 14.8 Cg_endo -56.91 134.17 62.73 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.892 2.395 . . . . 0.0 112.236 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.578 HG13 HD12 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.53 -22.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.88 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' A' ' 43' ' ' THR . 10.0 mt -104.47 -24.81 12.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD23 HG22 ' A' ' 43' ' ' THR . 21.3 mt -73.13 142.92 47.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.604 HG21 ' HG2' ' A' ' 44' ' ' ARG . 10.5 pt -129.63 -36.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.372 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -154.58 146.72 23.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 22.4 p90 -128.73 152.77 48.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.67 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.429 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -142.57 167.18 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.033 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 170.5 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -111.17 147.87 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.54 141.61 42.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.18 24.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -106.87 19.86 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 m -104.63 -86.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.66 -123.38 1.21 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 34.9 mttt -70.37 145.7 50.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -72.87 84.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.675 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.633 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -127.64 -171.28 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 40' ' ' ILE . 3.4 mm -112.11 158.31 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.514 ' N ' HG22 ' A' ' 39' ' ' ILE . 16.1 mm -107.67 129.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.634 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 45.0 mt -118.18 123.61 45.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 37.3 tt0 -110.94 128.69 55.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.59 HG22 HD23 ' A' ' 24' ' ' LEU . 20.1 p -104.31 164.93 11.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.249 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 25' ' ' ILE . 65.4 mtm180 -56.4 -16.6 6.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -104.43 34.72 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 48.75 51.48 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.605 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 12.0 ttm-85 -104.54 107.76 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.752 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.2 mt -105.64 111.64 24.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.605 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 17.8 m-85 -131.19 146.74 52.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.9 m -88.53 107.11 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.715 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -107.25 112.36 25.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 0.4 OUTLIER -56.35 131.21 75.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 51.3 Cg_exo -53.82 -42.98 62.01 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.764 2.309 . . . . 0.0 112.229 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -23.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.78 128.76 36.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.515 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.04 -50.94 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.376 -179.583 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.634 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 2.5 p-90 -46.9 -23.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.232 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.715 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 73.1 t -88.76 -46.62 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.06 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 18.6 mttm -59.27 -43.36 92.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.381 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD2' ' OE1' ' A' ' 56' ' ' GLN . 1.7 m-20 -75.62 -48.76 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.469 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -52.86 -41.16 64.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.067 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.529 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.8 mtm -70.54 -55.19 9.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -44.69 -28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 109.935 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.51 -59.4 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.65 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 25' ' ' ILE . 39.2 mt -48.89 -39.55 26.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.981 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.887 0.375 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.0 tt -135.06 118.56 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.17 136.75 44.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.1 m -90.5 70.7 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -69.39 -39.24 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.98 179.35 6.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 38' ' ' ALA . 16.2 mmt -119.5 140.57 50.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 17' ' ' SER . 3.9 t -87.18 -169.2 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 16' ' ' THR . 0.1 OUTLIER -104.88 -172.83 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -74.54 140.82 44.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.649 HD12 ' CH2' ' A' ' 57' ' ' TRP . 4.9 mt -138.75 142.09 32.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.323 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HD2' HG22 ' A' ' 19' ' ' ILE . 52.9 Cg_exo -53.49 116.01 2.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.57 -21.3 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.977 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.22 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.71 -5.17 21.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 41' ' ' LEU . 44.7 mt -85.23 141.77 29.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.619 HD11 ' HG2' ' A' ' 42' ' ' GLU . 18.4 pt -116.84 -29.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 25' ' ' ILE . 23.4 m-70 -159.36 158.18 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HD2' HD13 ' A' ' 65' ' ' LEU . 16.2 p90 -132.52 134.79 45.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.688 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 170.34 10.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -112.76 145.91 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -79.94 161.68 25.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -102.3 133.85 46.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.39 82.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -178.99 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.11 131.61 52.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.74 -159.63 48.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.347 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.63 157.87 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -65.2 88.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 15' ' ' MET . . . -128.23 -168.8 1.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.48 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.9 mm -119.29 151.45 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.2 mm -105.01 133.17 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.595 HD12 ' CH2' ' A' ' 57' ' ' TRP . 86.7 mt -124.35 128.73 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.619 ' HG2' HD11 ' A' ' 25' ' ' ILE . 53.2 tt0 -110.85 130.56 55.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.483 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.833 HG21 HH11 ' A' ' 47' ' ' ARG . 74.0 p -104.79 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.367 . . . . 0.0 111.345 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 29.8 mtm180 -67.23 -7.95 27.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.799 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -104.22 20.88 17.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 53.89 37.33 26.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.597 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.833 HH11 HG21 ' A' ' 43' ' ' THR . 2.6 ttm180 -104.54 118.48 36.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.239 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 9.9 mt -104.9 131.25 52.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 3.4 m-85 -134.83 151.02 50.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -99.63 99.92 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB1' ' OE1' ' A' ' 55' ' ' GLU . . . -105.72 123.5 48.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 2.5 t70 -61.42 136.39 94.27 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 48.2 Cg_exo -55.56 -17.89 18.48 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.696 2.264 . . . . 0.0 112.17 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 52.3 mttt -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' OE1' ' HB1' ' A' ' 51' ' ' ALA . 26.7 mt-10 -69.05 132.79 47.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.53 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.182 -179.12 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.649 ' CH2' HD12 ' A' ' 19' ' ' ILE . 4.2 p-90 -52.18 -18.85 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' HB1' ' A' ' 51' ' ' ALA . 79.9 t -88.29 -32.16 5.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.945 0.402 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 54' ' ' LYS . 16.4 mttp -69.02 -54.35 15.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.077 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' CB ' HE22 ' A' ' 56' ' ' GLN . 49.7 t0 -68.19 -43.72 77.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.57 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -52.06 -44.66 64.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.982 0.42 . . . . 0.0 110.549 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.423 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 37.6 mtm -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -44.87 -27.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.084 0.469 . . . . 0.0 109.96 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.39 -63.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD13 ' HD2' ' A' ' 27' ' ' TYR . 11.9 mt -55.73 -17.74 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 62' ' ' MET . 35.4 m-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.435 HD22 HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.799 0.333 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.3 tt -134.45 112.51 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.462 ' OG1' ' HA3' ' A' ' 35' ' ' GLY . 1.2 t -118.04 130.97 56.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 10.9 m -72.72 78.03 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -72.42 -21.78 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.795 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 -176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.78 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.2 mmt -102.24 161.88 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.991 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.549 ' HG1' ' HD2' ' A' ' 49' ' ' PHE . 5.3 t -110.58 -167.5 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.96 163.69 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -58.5 134.34 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.58 HG23 ' HD2' ' A' ' 20' ' ' PRO . 58.5 mt -130.17 146.25 60.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.58 ' HD2' HG23 ' A' ' 19' ' ' ILE . 16.1 Cg_exo -66.29 138.05 49.72 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.657 2.238 . . . . 0.0 112.19 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.32 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -16.64 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.548 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.5 mm? -104.51 -18.01 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.642 HD12 ' HB1' ' A' ' 61' ' ' ALA . 12.0 mt -74.44 128.83 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.617 HD13 ' HA ' ' A' ' 44' ' ' ARG . 29.5 pt -122.72 -31.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.07 146.09 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB3' HD12 ' A' ' 65' ' ' LEU . 12.9 p90 -121.42 157.71 29.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.733 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -147.69 -156.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' CA ' HG12 ' A' ' 40' ' ' ILE . 2.9 tt0 -150.37 149.8 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -69.35 153.75 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 45.2 mm-40 -78.02 152.37 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.29 -7.2 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 p -131.2 35.31 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 31' ' ' GLN . 48.2 t -119.79 -71.38 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA3' ' OG1' ' A' ' 11' ' ' THR . . . -141.39 -116.7 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.765 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 78.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.513 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -122.57 -174.48 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.56 146.97 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.467 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 5.9 mm -104.93 141.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 56.4 mt -124.21 130.33 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 56.1 tt0 -120.67 126.72 50.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.607 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.534 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 14.8 p -104.46 164.88 11.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.617 ' HA ' HD13 ' A' ' 25' ' ' ILE . 1.9 ptt180 -62.02 -11.87 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -104.09 27.96 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.681 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 55.72 47.8 19.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 3.8 ttt85 -104.59 111.48 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 22.1 mt -111.08 116.94 31.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.612 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 11.8 m-85 -134.55 170.49 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.37 110.28 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.26 143.3 45.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 133.13 92.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.789 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.81 -14.12 20.94 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.841 2.36 . . . . 0.0 112.257 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.77 -34.5 39.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.3 mt-10 -47.86 134.97 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -57.54 -56.36 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.251 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 6.8 p-90 -54.47 -17.16 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.48 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.567 ' O ' ' HE2' ' A' ' 62' ' ' MET . 54.3 t -88.23 -29.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.969 0.414 . . . . 0.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -72.85 -52.61 14.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.043 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.09 -43.81 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.262 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 24' ' ' LEU . . . -53.39 -49.64 66.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 110.423 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.567 ' HE2' ' O ' ' A' ' 58' ' ' VAL . 44.1 mtm -67.72 -57.37 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.534 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -44.78 -27.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -75.42 -48.71 21.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.382 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 27' ' ' TYR . 88.6 mt -60.43 -40.49 91.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.775 0.321 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.9 tt -134.18 111.56 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 11' ' ' THR . 6.7 t -107.04 118.99 38.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' SG ' ' ND2' ' A' ' 30' ' ' ASN . 85.7 m -78.76 73.24 5.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -48.9 28.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.67 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.24 -178.46 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.6 mmt -114.66 127.46 55.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -70.02 -170.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 19' ' ' ILE . 85.1 p -109.13 168.62 9.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 19' ' ' ILE . 9.1 tptp -42.76 144.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.481 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 22.2 mt -140.96 133.57 14.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -50.91 112.29 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -53.19 -24.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.001 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.25 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.634 HD23 ' NH1' ' A' ' 44' ' ' ARG . 13.5 mt -104.56 -19.68 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 HG22 ' A' ' 43' ' ' THR . 33.3 mt -76.99 134.53 38.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 44' ' ' ARG . 13.0 pt -122.69 -30.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.449 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.463 ' HB2' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -146.85 150.13 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 111.186 -179.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -131.93 131.83 43.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.7 174.02 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.037 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.09 145.16 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.729 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.456 ' ND2' ' SG ' ' A' ' 12' ' ' CYS . 27.5 t-20 -78.46 162.33 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -101.73 151.6 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.24 -0.56 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.73 -13.18 14.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.64 119.36 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 41.35 -146.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 146.88 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -65.1 86.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.56 -161.13 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.445 HG12 ' HG3' ' A' ' 53' ' ' PRO . 6.9 mm -110.45 148.21 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.274 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.3 mm -105.17 123.95 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.798 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -112.62 116.61 30.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 1.4 tt0 -111.7 128.22 56.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.77 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.752 HG22 HD23 ' A' ' 24' ' ' LEU . 14.2 p -104.29 164.43 11.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.649 ' HA ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -55.18 -16.24 2.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -104.0 35.07 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 48.8 50.99 16.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 9.0 ttm-85 -104.85 99.02 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -105.28 113.24 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.4 m-85 -130.47 145.21 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.1 m -87.47 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.99 142.8 40.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.78 132.23 55.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HG3' HG12 ' A' ' 39' ' ' ILE . 67.7 Cg_exo -50.96 -47.11 27.08 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.79 2.327 . . . . 0.0 112.366 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.36 -37.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.76 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.754 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.18 -50.6 73.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.37 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.798 ' CH2' HD12 ' A' ' 41' ' ' LEU . 11.4 p-90 -50.87 -20.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 110.964 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 62' ' ' MET . 77.1 t -88.47 -44.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.76 -43.63 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.256 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' CB ' HE22 ' A' ' 56' ' ' GLN . 0.5 OUTLIER -73.83 -43.66 58.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.925 179.38 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -43.69 50.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 37.2 mtm -68.63 -51.36 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.535 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -44.79 -29.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.061 0.458 . . . . 0.0 109.959 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -75.43 -59.05 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.737 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 65' ' ' LEU . 8.5 mt -48.6 -39.52 24.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.021 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.819 0.343 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.468 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 4.8 mm-40 -83.59 -48.18 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.468 ' CG ' ' C ' ' A' ' 1' ' ' GLN . 1.8 m-70 -157.83 -53.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -126.98 140.4 52.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.1 116.5 4.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.561 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 5' ' ' VAL . 30.0 m -117.62 52.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 -163.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 170.9 101.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' HB3' ' OG1' ' A' ' 11' ' ' THR . 2.1 t 63.81 131.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.616 ' ND2' HG22 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -50.7 -43.89 57.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.996 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.759 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -132.16 95.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 8' ' ' CYS . 1.2 m -104.73 125.32 50.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 31.6 m -81.19 75.88 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -66.47 -35.24 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.977 0.417 . . . . 0.0 110.621 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 13' ' ' SER . 6.6 mmtp -145.4 -172.16 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.35 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 t -91.53 -171.62 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.23 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HE3' ' HB2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -63.93 137.68 58.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 12.7 mt -141.17 140.53 21.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HB2' HD23 ' A' ' 23' ' ' LEU . 41.0 Cg_exo -55.61 122.32 11.52 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.768 2.312 . . . . 0.0 112.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.87 -22.11 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.69 -5.94 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.214 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -104.75 -13.72 15.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 HG22 ' A' ' 43' ' ' THR . 22.9 mt -82.89 142.94 31.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 44' ' ' ARG . 23.9 pt -123.16 -34.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.402 ' N ' HG13 ' A' ' 25' ' ' ILE . 20.8 m-70 -150.86 152.65 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 2.5 p90 -133.23 121.03 21.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -101.1 -169.12 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.1 140.93 50.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -62.99 139.62 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.22 137.76 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.38 -10.27 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -117.88 20.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.68 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.58 -79.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.91 -145.83 4.21 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.429 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 18.4 mmtt -57.72 130.42 46.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.18 88.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.94 -152.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 4.1 mm -122.36 148.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.431 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.9 mm -104.91 122.85 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.628 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 82.3 mt -111.09 120.97 44.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.275 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.513 ' HA ' HD23 ' A' ' 48' ' ' LEU . 83.9 tt0 -112.81 125.12 54.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.436 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 HD23 ' A' ' 24' ' ' LEU . 20.6 p -104.6 164.08 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 111.165 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.566 ' HA ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -60.15 -13.07 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.998 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.431 ' OE1' ' NH2' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -104.47 30.63 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.73 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 54.38 48.35 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HB3' HG23 ' A' ' 43' ' ' THR . 10.3 ttm-85 -104.84 104.11 13.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 42' ' ' GLU . 12.5 mt -107.02 96.99 6.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CE2' ' HD3' ' A' ' 47' ' ' ARG . 27.9 m-85 -114.31 165.43 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 7.0 m -113.47 106.67 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.51 146.66 32.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -77.99 134.11 64.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.23 -27.64 31.01 Favored 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.781 2.321 . . . . 0.0 112.385 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.13 -39.67 94.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 13.7 mt-10 -48.54 128.27 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.83 -53.69 55.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.378 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.752 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 7.4 p-90 -50.54 -20.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.959 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 62' ' ' MET . 75.4 t -88.31 -42.68 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.474 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 13.9 mttt -55.96 -54.91 39.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.854 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.54 -43.28 77.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.348 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -39.62 41.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 64.2 mtm -71.18 -58.27 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.698 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -49.29 -23.07 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.015 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.517 ' CD2' ' NE2' ' A' ' 68' ' ' GLN . 78.1 t60 -74.99 -61.96 1.71 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.915 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 65' ' ' LEU . 7.7 mt -56.06 -18.13 8.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.27 -27.52 68.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.665 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.54 20.86 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.517 ' NE2' ' CD2' ' A' ' 64' ' ' HIS . 0.4 OUTLIER -113.47 -58.89 2.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.3 -53.05 11.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.15 -54.07 14.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 73' ' ' THR . . . -48.43 169.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 72' ' ' LEU . 3.0 mm? 58.49 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 71' ' ' ALA . 2.8 t -113.07 113.56 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.93 47.69 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.93 64.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.783 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.569 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.475 ' O ' ' HG3' ' A' ' 1' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.923 0.392 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 0' ' ' MET . 0.3 OUTLIER 36.22 40.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.42 -63.39 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.73 56.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.9 167.52 16.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 5' ' ' VAL . 29.8 m -113.53 53.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.085 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.06 -162.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.953 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 176.96 45.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -136.46 88.42 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.617 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' CYS . 6.9 p30 -33.11 -45.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.368 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tt -129.34 139.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.338 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -126.67 129.42 48.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 96.2 m -77.0 80.94 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.467 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 11.9 t -73.08 -45.11 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' A' ' 13' ' ' SER . 8.2 mmpt? -143.12 -172.88 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.784 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -108.75 162.26 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 t -110.95 -168.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.23 146.76 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.587 HG22 ' HD2' ' A' ' 20' ' ' PRO . 6.8 mt -148.8 142.67 16.37 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.69 ' HB2' HD23 ' A' ' 23' ' ' LEU . 37.4 Cg_exo -58.76 128.76 29.28 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.406 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.01 -20.72 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.735 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' C ' HD22 ' A' ' 23' ' ' LEU . . . -68.49 -6.47 25.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.161 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.69 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -104.47 -16.63 15.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.661 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 41' ' ' LEU . 71.0 mt -81.28 139.4 35.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' A' ' 44' ' ' ARG . 30.5 pt -122.73 -34.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.535 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 25' ' ' ILE . 2.3 m-70 -149.28 150.2 32.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 1.5 p90 -135.08 140.99 45.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.687 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.482 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -131.64 162.82 29.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.072 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 122.54 36.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -42.1 133.04 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' SER . 23.1 mt-30 -65.52 111.83 3.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.58 81.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 31' ' ' GLN . 25.2 p 176.3 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.03 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 145.48 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.71 -167.43 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.4 156.07 19.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 85.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -124.23 -157.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 3.5 mm -124.02 148.91 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.194 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.482 ' HB ' ' HG2' ' A' ' 28' ' ' GLN . 20.6 mm -104.68 118.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.886 HD12 ' CH2' ' A' ' 57' ' ' TRP . 14.3 mt -105.23 128.79 53.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.272 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 23.0 tt0 -120.57 131.8 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.576 ' CG2' ' CG ' ' A' ' 47' ' ' ARG . 47.7 p -105.04 171.9 7.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 111.406 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' HB3' HG21 ' A' ' 25' ' ' ILE . 6.7 ptp180 -75.01 0.66 15.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.98 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 46' ' ' HIS . 6.1 mt-30 -104.23 -3.4 24.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 9.4 m-70 86.21 35.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.529 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.647 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -104.88 142.42 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.608 179.441 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 47' ' ' ARG . 7.6 mt -131.86 116.34 17.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' CE1' ' HD3' ' A' ' 47' ' ' ARG . 7.5 m-85 -133.59 129.67 37.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -76.52 105.55 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.572 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -107.2 130.04 54.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -75.96 137.42 69.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 50.6 Cg_exo -53.18 -21.69 17.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -24.22 66.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HB2' HG23 ' A' ' 58' ' ' VAL . 24.0 mt-10 -70.84 130.36 41.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.823 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.517 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -58.04 -54.98 40.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.886 ' CH2' HD12 ' A' ' 41' ' ' LEU . 7.3 p-90 -51.61 -19.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.509 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.572 HG21 ' HB1' ' A' ' 51' ' ' ALA . 99.8 t -88.39 -42.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.236 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 37.1 mttm -59.37 -49.55 77.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.402 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' CB ' HE22 ' A' ' 56' ' ' GLN . 22.0 t0 -72.29 -46.27 56.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -48.43 -39.63 23.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mtm -73.31 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.681 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 9.6 tt0 -45.0 -26.41 0.42 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.405 ' CD2' HE22 ' A' ' 68' ' ' GLN . 37.0 t60 -75.18 -51.14 14.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.845 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 mt -65.21 -23.49 67.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -73.19 -52.18 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.811 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 63' ' ' GLN . 15.4 mmt180 -83.95 53.96 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.405 HE22 ' CD2' ' A' ' 64' ' ' HIS . 0.4 OUTLIER -162.52 -80.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.8 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.45 -36.4 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.009 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.23 -25.12 59.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -8.73 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -113.49 -78.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.4 t -129.51 130.93 46.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.66 44.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -120.15 94.64 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.896 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' ASN . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.343 -1.254 . . . . 0.0 112.437 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.527 ' HA ' HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.834 0.35 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 3' ' ' HIS . 0.8 OUTLIER 57.87 -157.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.68 95.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 1' ' ' GLN . 0.2 OUTLIER 173.34 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.34 99.95 2.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.548 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.527 HG21 ' HA ' ' A' ' 0' ' ' MET . 99.0 t -114.09 105.16 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.718 0.294 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.7 -12.67 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.121 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptt 51.66 47.34 24.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.787 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' ILE . 29.9 p -132.58 81.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' CYS . 3.0 p30 -34.38 -34.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -134.98 117.11 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' THR . 12.0 t -110.18 122.97 48.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.84 63.46 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.777 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -74.22 -21.75 59.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.03 -177.75 5.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.82 145.42 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -92.45 -175.13 3.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.749 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.474 ' O ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.84 175.94 5.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.948 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -54.03 148.14 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.532 HD13 HH11 ' A' ' 47' ' ' ARG . 18.4 mt -148.78 137.77 12.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 41.6 Cg_exo -55.56 132.03 49.7 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.823 2.349 . . . . 0.0 112.356 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.492 HG11 ' HB3' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -68.91 -22.75 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -12.15 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 22.0 mt -104.93 -20.15 13.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 41' ' ' LEU . 16.6 mt -75.93 136.38 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.574 HD11 ' HG2' ' A' ' 42' ' ' GLU . 23.1 pt -106.65 -41.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -161.25 164.05 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.023 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 5.1 p90 -130.57 147.12 52.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.532 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -120.62 -166.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.46 100.76 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.495 ' OD1' HG23 ' A' ' 10' ' ' ILE . 35.3 t30 -43.24 137.5 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.77 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -66.23 122.96 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.15 84.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 p -173.51 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.93 132.05 54.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.753 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.39 -117.88 12.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -130.2 150.76 51.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 85.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.2 -166.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mm -107.84 152.61 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.532 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 4.0 mm -104.98 129.2 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.645 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 58.4 mt -118.39 117.4 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.597 ' HG3' HD21 ' A' ' 48' ' ' LEU . 46.1 tt0 -111.82 126.86 55.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.554 HG23 ' HB3' ' A' ' 47' ' ' ARG . 19.6 p -104.23 163.74 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.976 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -14.11 5.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -104.04 33.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.601 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 51.01 49.84 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HB3' HG23 ' A' ' 43' ' ' THR . 6.9 ttm180 -104.55 103.21 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.597 HD21 ' HG3' ' A' ' 42' ' ' GLU . 19.1 mt -107.48 105.01 14.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.817 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.528 ' CD2' ' HG2' ' A' ' 47' ' ' ARG . 35.4 m-85 -122.14 151.09 41.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.42 100.88 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.25 125.64 51.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.33 135.65 95.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 35.5 Cg_endo -64.43 -6.97 12.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.867 2.378 . . . . 0.0 112.434 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -14.55 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB2' HG23 ' A' ' 58' ' ' VAL . 26.5 mt-10 -82.33 132.28 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.6 -49.3 78.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.335 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.648 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.3 p-90 -50.65 -20.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.009 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.522 HG23 ' HB2' ' A' ' 55' ' ' GLU . 59.3 t -88.47 -43.33 15.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.794 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 49.6 mttt -66.95 -40.91 87.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.251 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CB ' HE22 ' A' ' 56' ' ' GLN . 1.3 m-20 -74.17 -42.94 59.11 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.029 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.81 -46.64 59.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.501 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.4 mtm -67.07 -53.38 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.524 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -45.01 -28.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.494 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 77.6 t60 -75.64 -52.09 11.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.476 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 86.3 mt -57.52 -25.23 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -72.22 -5.09 33.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -112.72 26.22 10.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 0.7 OUTLIER -127.13 -69.91 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.057 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.13 -19.86 64.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 71' ' ' ALA . . . -46.48 -38.25 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' THR . . . -48.48 -176.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 72' ' ' LEU . 4.3 mm? 54.0 -83.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 73' ' ' THR . 9.0 t -125.23 91.95 3.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' THR . 0.6 OUTLIER -36.36 -90.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.53 80.01 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.525 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.9 mtp . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.893 0.378 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.54 150.56 36.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' HIS . 5.7 p-80 -73.31 140.52 46.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 2' ' ' HIS . 55.8 m80 65.38 42.62 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.93 87.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.584 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 5' ' ' VAL . 27.2 m -109.87 78.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 111.094 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 t -114.68 -1.8 13.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.6 91.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.723 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER 72.24 110.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -34.24 -34.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.005 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' CYS . 6.2 tt -135.09 129.21 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -125.22 171.08 10.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 77.3 m -109.21 33.72 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 21.1 t -59.22 88.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 13' ' ' SER . 13.1 tptt 85.7 150.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.764 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 19.0 mmt -87.85 142.66 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -75.78 -168.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -105.35 -173.49 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.01 143.02 49.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.6 mt -145.27 137.13 13.02 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 37.3 Cg_endo -67.0 124.5 12.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.262 . . . . 0.0 112.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 p -52.78 -24.45 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.66 -11.81 28.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -104.98 -19.1 13.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD23 HG22 ' A' ' 43' ' ' THR . 12.1 mt -73.05 126.93 31.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 44' ' ' ARG . 32.8 pt -106.71 -28.14 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 142.53 16.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 20.2 p90 -120.35 105.88 11.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -93.76 -175.46 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.062 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 138.63 53.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.787 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.804 ' HA ' HD11 ' A' ' 40' ' ' ILE . 28.1 t-20 -58.41 142.04 49.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.99 128.29 34.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -65.45 82.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 163.64 -24.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.2 m -108.96 146.9 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 35.95 -147.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.573 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 153.65 18.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.707 0.289 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 76.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.66 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -113.24 -167.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.0 mm -106.88 153.53 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.205 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.804 HD11 ' HA ' ' A' ' 30' ' ' ASN . 2.4 mm -104.85 127.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.694 HD12 ' CH2' ' A' ' 57' ' ' TRP . 7.6 mt -114.14 121.37 43.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 63.8 tt0 -116.01 126.53 53.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.699 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.593 HG22 HD23 ' A' ' 24' ' ' LEU . 24.3 p -104.64 166.26 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.564 ' HA ' HD13 ' A' ' 25' ' ' ILE . 8.0 ptm180 -66.13 -8.52 24.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -104.18 22.42 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.781 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 62.8 46.42 5.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.649 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 4.8 ttm-85 -104.44 102.31 11.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 2.2 mt -109.86 109.11 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.649 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.2 m-85 -133.81 -179.83 5.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 2.4 m -117.56 116.12 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.528 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -108.81 159.09 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.077 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -90.6 126.32 56.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 51.3 Cg_exo -53.57 -19.69 14.45 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 4.3 mmtp -79.35 -20.67 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -62.2 129.39 40.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -56.42 -57.36 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.234 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.694 ' CH2' HD12 ' A' ' 41' ' ' LEU . 20.7 p-90 -53.54 -19.16 3.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.522 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG21 ' HB1' ' A' ' 51' ' ' ALA . 71.2 t -88.27 -35.91 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 53.5 mttt -66.84 -51.7 52.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 110.046 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' CB ' HE22 ' A' ' 56' ' ' GLN . 56.5 t0 -69.03 -46.57 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.223 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -47.74 -47.26 30.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.0 110.349 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.9 mtm -70.54 -57.67 4.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.512 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.56 -26.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 109.899 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.42 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 6.7 t60 -74.52 -56.25 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.96 -35.26 74.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -73.76 -39.53 64.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.67 46.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.636 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -142.76 -65.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.74 -12.91 61.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.48 -51.17 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.37 -17.7 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 68' ' ' GLN . 4.5 mm? -92.81 -28.56 16.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 t -174.61 81.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -44.09 -68.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -120.41 113.02 19.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.973 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.509 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.766 0.317 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 51.19 44.45 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER 172.11 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' HIS . 0.8 OUTLIER -33.08 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.06 166.35 30.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.706 ' O ' HG22 ' A' ' 5' ' ' VAL . 6.8 p -109.31 53.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.75 133.87 53.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 171.25 43.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 8.1 p -63.04 151.37 40.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.954 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.497 HD22 HG22 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -34.74 -40.77 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.951 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' ILE . 4.6 tt -132.2 90.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -104.9 135.12 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 20.7 m -90.77 59.1 4.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.99 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -75.13 -12.9 60.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.01 153.21 33.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 132.95 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 17' ' ' SER . 3.5 t -73.54 -169.47 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 16' ' ' THR . 0.7 OUTLIER -104.85 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -78.24 111.96 14.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.955 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 13.2 mt -111.93 138.65 21.73 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 19.4 Cg_endo -58.31 125.23 17.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.835 2.357 . . . . 0.0 112.255 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 24' ' ' LEU . 1.5 t -59.78 -21.78 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.2 -16.59 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.72 -26.85 12.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 21' ' ' VAL . 17.4 mt -58.22 130.46 46.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.634 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.535 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 8.8 pt -112.37 -36.79 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.466 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.5 m-70 -151.25 155.35 38.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.008 0.432 . . . . 0.0 111.378 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.891 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.4 p90 -135.15 139.96 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.64 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.85 172.01 13.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.87 0.367 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.6 tt0 -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' CB ' ' A' ' 34' ' ' CYS . 40.7 t-20 -36.92 129.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -49.17 152.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -75.39 54.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.9 p 159.43 42.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -116.16 -74.87 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.18 -128.32 2.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -87.53 178.06 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.842 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 64.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -110.57 -175.57 2.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.571 HG22 ' N ' ' A' ' 40' ' ' ILE . 4.5 mm -114.82 161.94 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.571 ' N ' HG22 ' A' ' 39' ' ' ILE . 11.0 mm -111.68 127.72 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.714 HD12 ' CH2' ' A' ' 57' ' ' TRP . 15.3 mt -117.47 131.85 56.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 29.9 tt0 -124.96 123.72 40.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.767 HG23 ' HB3' ' A' ' 47' ' ' ARG . 1.8 p -105.0 161.18 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.058 0.456 . . . . 0.0 111.553 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -56.63 -13.79 2.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.669 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -103.92 33.11 3.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 52.59 47.77 23.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.84 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HB3' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -104.5 100.52 10.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.709 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 ' CD2' ' HB2' ' A' ' 42' ' ' GLU . 15.2 mt -104.93 93.65 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 3.2 m-85 -123.25 153.04 40.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 56.1 m -91.94 129.99 37.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.615 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -123.84 135.95 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.98 127.57 91.55 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HG3' HG12 ' A' ' 39' ' ' ILE . 51.6 Cg_exo -54.13 -22.42 25.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.782 2.321 . . . . 0.0 112.203 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.95 -10.83 59.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 40.0 mt-10 -76.39 133.24 39.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.25 -61.14 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.159 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.744 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.5 p-90 -51.53 -18.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.759 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.615 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 57.5 t -87.86 -45.42 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.12 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 22.8 mttm -56.74 -52.34 65.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.011 0.434 . . . . 0.0 110.146 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.35 -47.42 64.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -44.97 -40.85 6.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.018 0.437 . . . . 0.0 110.301 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 48.0 mtm -69.61 -55.85 8.92 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -45.86 -26.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.025 0.441 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -75.85 -54.8 6.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.585 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.891 HD12 ' HB3' ' A' ' 27' ' ' TYR . 4.6 mt -60.44 -29.98 69.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.93 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' CE1' ' A' ' 27' ' ' TYR . 31.0 m-20 -69.49 -43.88 72.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -85.82 15.04 5.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.77 -59.7 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.52 -35.22 28.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.69 -41.61 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.462 ' C ' HD22 ' A' ' 72' ' ' LEU . . . -61.27 -13.01 15.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.571 ' C ' HG23 ' A' ' 73' ' ' THR . 2.7 mm? -104.88 8.88 34.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.571 HG23 ' C ' ' A' ' 72' ' ' LEU . 1.4 p 73.5 29.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 75' ' ' ASN . 0.0 OUTLIER 39.72 -93.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' THR . 0.8 OUTLIER -135.13 14.46 3.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.882 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.431 ' OXT' ' HB ' ' A' ' 73' ' ' THR . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.417 ' HA ' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 63.75 125.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -44.7 -46.6 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -83.05 103.87 12.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.42 177.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.611 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.71 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.3 p -125.99 104.2 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 0.0 111.171 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.09 -169.49 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.823 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.96 49.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' ' OG1' ' A' ' 11' ' ' THR . 1.2 m -100.3 114.83 28.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -36.09 -41.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.775 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.3 tt -133.96 95.81 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.375 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.4 m -104.95 103.89 13.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.412 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.6 m -68.72 82.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.336 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -75.41 -19.33 59.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.542 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 -178.53 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.584 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.75 152.49 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 17' ' ' SER . 1.8 t -91.91 -169.94 2.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 16' ' ' THR . 10.5 p -104.82 174.27 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.781 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -71.2 122.1 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.452 ' O ' ' CE3' ' A' ' 57' ' ' TRP . 16.6 mt -121.07 137.72 27.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -56.06 128.47 30.34 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.77 2.313 . . . . 0.0 112.421 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.826 ' HA ' HD12 ' A' ' 24' ' ' LEU . 8.9 p -64.93 -23.6 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -12.58 19.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -104.69 -21.87 13.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -73.47 142.87 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.764 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 44' ' ' ARG . 44.2 pt -122.75 -26.75 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.453 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.478 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -161.09 147.19 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 39.7 p90 -119.57 124.94 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.523 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -103.87 -177.09 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.97 -179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' C ' HG12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -120.42 153.08 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 8.1 t-20 -86.68 150.34 24.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.49 ' OE1' ' N ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -76.8 149.04 36.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.03 45.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.193 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.1 p -131.5 37.94 3.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 11' ' ' THR . 30.7 m -135.24 45.59 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.8 -138.52 13.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.1 128.29 34.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.318 . . . . 0.0 110.841 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 89.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' ASN . . . -123.58 -162.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.122 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 13.9 mm -112.49 154.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.523 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 10.0 mm -105.03 142.9 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 29.3 mt -125.71 116.71 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 61.4 tt0 -112.73 124.02 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.569 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.642 HG22 HD23 ' A' ' 24' ' ' LEU . 20.3 p -104.95 164.63 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.381 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 25' ' ' ILE . 13.7 ptp180 -60.04 -13.56 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.2 30.81 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.797 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 53.85 49.25 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 10.4 ttt-85 -104.74 104.96 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 43.9 mt -110.09 110.63 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.777 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.6 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 21.5 m-85 -133.12 155.65 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.8 m -96.49 99.79 11.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.712 ' HB1' ' OE1' ' A' ' 55' ' ' GLU . . . -105.31 140.26 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.001 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.95 139.56 85.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.36 -11.56 30.81 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.864 2.376 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -18.67 56.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.712 ' OE1' ' HB1' ' A' ' 51' ' ' ALA . 62.3 mt-10 -67.43 129.79 41.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.538 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -56.74 -57.96 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.096 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.703 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 11.3 p-90 -50.57 -17.85 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.004 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.536 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 93.4 t -88.01 -38.08 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.416 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 56' ' ' GLN . 44.9 mttt -64.41 -48.53 75.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.873 0.368 . . . . 0.0 110.201 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.504 ' OD2' ' NE2' ' A' ' 56' ' ' GLN . 91.0 m-20 -72.68 -44.67 61.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.217 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -47.98 -39.65 20.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.39 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.55 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 35.8 mtm -71.49 -61.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -44.75 -27.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.766 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.601 ' CD2' ' NE2' ' A' ' 68' ' ' GLN . 78.6 t60 -73.03 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.58 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 26' ' ' HIS . 25.0 mt -65.79 -29.32 69.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.677 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.05 -61.3 2.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.64 51.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.773 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.601 ' NE2' ' CD2' ' A' ' 64' ' ' HIS . 1.7 tt0 -151.03 -55.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.813 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.73 87.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 74' ' ' ARG . . . -71.61 -36.52 70.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.08 -12.98 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.658 HD23 ' CG2' ' A' ' 73' ' ' THR . 0.4 OUTLIER -115.25 -47.08 2.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.95 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.658 ' CG2' HD23 ' A' ' 72' ' ' LEU . 2.6 p -137.1 91.46 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 70' ' ' ALA . 3.2 mtt180 -66.82 102.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -127.05 -59.64 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.528 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.826 0.346 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -80.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' HIS . 17.7 p-80 -104.09 -42.27 5.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -36.8 -34.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.7 139.94 8.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.551 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.4 p -115.88 86.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.1 t -117.13 -20.98 9.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.81 46.83 6.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ASN . 5.3 m -120.19 84.29 2.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.753 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -32.16 -48.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.453 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.498 HD13 HD12 ' A' ' 40' ' ' ILE . 6.0 tt -124.76 142.95 39.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.913 0.387 . . . . 0.0 111.539 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -134.43 138.8 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.637 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.4 m -99.77 71.3 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -32.88 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 155.67 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.1 176.87 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -128.79 -179.24 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -105.8 -177.58 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -58.48 150.19 23.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.564 HG23 ' HD2' ' A' ' 20' ' ' PRO . 40.6 mt -148.16 139.21 13.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 19' ' ' ILE . 11.5 Cg_endo -54.49 124.47 16.19 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.954 2.436 . . . . 0.0 112.29 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -68.06 -20.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' C ' HD23 ' A' ' 23' ' ' LEU . . . -64.54 -10.05 23.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 22' ' ' ALA . 6.1 mt -104.74 -20.03 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.89 ' HB3' HD11 ' A' ' 65' ' ' LEU . 85.9 mt -68.2 130.08 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 44' ' ' ARG . 47.3 pt -120.84 -28.85 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.69 142.9 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 10.7 p90 -124.12 146.85 48.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.48 163.08 29.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -100.73 146.51 27.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -75.51 142.35 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 1.8 mm-40 -90.58 131.1 36.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -59.72 80.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.77 -33.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.91 119.52 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.29 43.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.526 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.7 170.36 9.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.802 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.26 86.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -127.77 -157.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 4.8 mm -131.62 153.36 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.498 HD12 HD13 ' A' ' 10' ' ' ILE . 8.4 mm -108.8 131.78 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.642 HD12 ' CH2' ' A' ' 57' ' ' TRP . 36.8 mt -117.11 121.56 41.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.046 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 36.5 tt0 -110.7 126.03 54.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 47' ' ' ARG . 14.4 p -104.34 163.62 12.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.962 0.411 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.754 ' HA ' HD13 ' A' ' 25' ' ' ILE . 1.8 ptt180 -55.42 -16.06 3.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.93 35.46 2.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 49.09 49.91 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -104.65 102.96 12.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 77.9 mt -107.57 102.81 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.614 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 7.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.94 98.19 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.67 128.59 53.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 137.29 97.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.802 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 41.2 Cg_endo -67.12 -4.49 11.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.785 2.323 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -23.67 39.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.017 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.51 135.17 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -61.08 -47.48 86.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.44 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.642 ' CH2' HD12 ' A' ' 41' ' ' LEU . 10.9 p-90 -50.88 -20.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.053 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.5 t -88.77 -37.52 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 53' ' ' PRO . 2.3 mttt -68.76 -43.22 76.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' OD2' ' NE2' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -75.04 -42.55 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.198 179.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -53.36 -44.58 68.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.698 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 27.1 mtm -71.12 -53.13 15.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.697 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -30.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.67 -56.04 5.07 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.778 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.89 HD11 ' HB3' ' A' ' 24' ' ' LEU . 84.4 mt -57.34 -27.03 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -71.7 -55.18 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -36.62 -64.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -46.36 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.525 ' HB3' HD22 ' A' ' 75' ' ' ASN . . . -46.99 -46.57 21.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.11 -33.38 57.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.92 -15.82 10.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.678 ' C ' HG22 ' A' ' 73' ' ' THR . 1.1 mm? -86.31 -27.16 24.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.678 HG22 ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER 179.24 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 179.54 123.33 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.525 HD22 ' HB3' ' A' ' 69' ' ' ALA . 56.3 t30 -126.3 12.79 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.556 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.9 tmm? . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.854 0.359 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 39.13 49.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 92.2 m-70 44.01 66.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 2' ' ' HIS . 4.1 m-70 179.21 86.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.82 -168.83 54.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 5' ' ' VAL . 5.5 p -124.49 50.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.066 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -132.84 173.12 11.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 175.36 47.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 9' ' ' ASN . 2.5 m -95.75 105.56 17.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -35.79 -41.49 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.687 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 48' ' ' LEU . 5.6 tt -135.04 121.86 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.233 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.06 134.99 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.651 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.0 m -91.5 55.39 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -75.21 -33.62 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.53 155.3 45.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 16.3 mmt -102.51 160.8 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 17' ' ' SER . 1.6 t -107.34 -168.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 16' ' ' THR . 0.3 OUTLIER -104.78 -177.55 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -72.63 137.14 45.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.659 HD12 ' CH2' ' A' ' 57' ' ' TRP . 8.8 mt -134.57 139.52 32.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.525 ' HD2' ' CG2' ' A' ' 19' ' ' ILE . 9.5 Cg_endo -51.53 131.79 38.18 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.844 2.363 . . . . 0.0 112.036 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG13 ' HA ' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -61.36 -23.13 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.78 -4.28 23.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.305 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HG ' ' HG2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -104.79 -3.9 22.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.093 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 HG22 ' A' ' 43' ' ' THR . 76.5 mt -97.73 133.33 42.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.988 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' HG2' ' A' ' 42' ' ' GLU . 13.6 pt -105.1 -29.94 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.446 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -160.2 162.08 33.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.649 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.0 p90 -132.39 146.21 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.2 162.57 36.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 145.7 27.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.96 168.0 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 18.3 mt-30 -100.84 155.15 18.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -4.05 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -100.38 14.79 29.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 31' ' ' GLN . 4.0 m -125.43 -157.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 -161.96 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 158.87 0.4 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -74.52 73.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -107.04 -172.9 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mm -111.29 148.63 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.088 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 48' ' ' LEU . 3.3 mm -105.85 119.21 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.922 HD12 ' CH2' ' A' ' 57' ' ' TRP . 64.3 mt -104.98 130.21 53.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.996 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' A' ' 25' ' ' ILE . 4.1 tt0 -104.48 127.38 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.72 HG22 HD23 ' A' ' 24' ' ' LEU . 64.6 p -104.44 168.54 9.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' HA ' HG21 ' A' ' 25' ' ' ILE . 11.5 mtm180 -59.43 -17.29 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -104.67 32.53 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 48.67 49.78 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.638 ' CD ' ' CE2' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -107.37 126.53 52.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 10' ' ' ILE . 9.5 mt -107.64 117.35 33.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 47' ' ' ARG . 7.3 m-85 -111.71 129.87 55.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.14 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.97 82.14 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.51 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.573 ' CB ' HG21 ' A' ' 58' ' ' VAL . . . -104.95 123.3 47.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.239 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.5 138.8 75.68 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.676 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 71.2 Cg_exo -47.9 -20.52 2.05 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.768 2.312 . . . . 0.0 112.573 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -70.56 -49.08 51.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.967 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' OE2' ' HA ' ' A' ' 51' ' ' ALA . 41.6 mt-10 -38.3 129.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.543 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.43 -56.74 18.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.527 -179.647 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.922 ' CH2' HD12 ' A' ' 41' ' ' LEU . 5.0 p-90 -50.08 -18.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.573 HG21 ' CB ' ' A' ' 51' ' ' ALA . 68.0 t -88.09 -41.61 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -66.34 -48.08 71.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.423 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' CB ' HE22 ' A' ' 56' ' ' GLN . 7.6 m-20 -70.5 -43.86 68.81 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.222 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.32 -44.84 44.69 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtp -68.35 -49.58 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.84 -33.06 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -75.82 -49.78 17.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.554 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.649 HD12 ' HB3' ' A' ' 27' ' ' TYR . 5.9 mt -58.64 -32.59 69.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.847 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -72.0 -32.54 67.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 10.8 mtt-85 -66.12 -38.19 87.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.765 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -20.8 63.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.28 -15.95 62.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 71' ' ' ALA . . . -132.76 -45.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ARG . . . -36.28 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.21 -68.75 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -97.09 158.1 15.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -103.29 11.49 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -123.01 -66.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.428 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.825 0.345 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 1' ' ' GLN . 13.2 tt0 48.9 31.15 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.3 m170 46.94 32.98 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -159.03 69.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.2 39.26 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.602 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 5' ' ' VAL . 4.1 p -104.7 117.8 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.61 160.41 20.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.73 47.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 33' ' ' SER . 0.8 OUTLIER 170.11 107.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.442 ' CG ' ' N ' ' A' ' 10' ' ' ILE . 2.6 p30 -35.56 -50.68 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.102 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.442 ' N ' ' CG ' ' A' ' 9' ' ' ASN . 5.5 tt -135.14 129.18 50.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.396 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 11' ' ' THR . 14.7 t -122.62 110.11 15.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 5.0 m -69.78 63.28 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -70.51 -48.9 53.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.57 164.65 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.426 ' N ' ' SD ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -88.26 156.68 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.078 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 t -104.55 -172.87 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.457 ' O ' HG13 ' A' ' 19' ' ' ILE . 3.6 m -104.81 161.65 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.508 ' HG2' ' CB ' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -50.04 135.74 20.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.487 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 14.7 mt -131.83 130.24 22.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 73.7 Cg_exo -47.52 121.62 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.733 2.289 . . . . 0.0 112.366 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.33 -24.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.23 -7.5 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HA ' ' CD ' ' A' ' 44' ' ' ARG . 11.6 mt -104.52 -18.65 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.572 HD12 ' HB1' ' A' ' 61' ' ' ALA . 90.3 mt -78.26 126.56 30.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.798 HG23 ' HG3' ' A' ' 44' ' ' ARG . 3.2 pt -111.61 -30.02 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -147.32 141.39 26.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.957 0.408 . . . . 0.0 111.308 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 12.0 p90 -122.3 116.4 24.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -109.18 -172.97 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.235 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.9 140.91 52.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.651 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HA ' HD11 ' A' ' 40' ' ' ILE . 66.8 t30 -62.95 155.99 25.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -93.15 143.26 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.63 60.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.454 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 177.78 36.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -134.98 -89.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -121.89 -116.47 2.4 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.35 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 7.7 mmtm -98.72 141.45 31.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 1.3 ptt85 -61.32 90.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.83 -163.25 1.25 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.318 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 40' ' ' ILE . 8.5 mm -113.97 153.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.104 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.454 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 4.8 mm -104.8 125.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.979 HD12 ' CH2' ' A' ' 57' ' ' TRP . 7.9 mt -113.32 115.79 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 25.1 tt0 -106.75 129.33 54.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.542 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 23.4 p -104.58 166.9 10.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.798 ' HG3' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -63.34 -10.78 18.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -104.78 21.57 16.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 63.1 45.9 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.721 ' C ' HD23 ' A' ' 48' ' ' LEU . 2.4 ttt85 -104.91 108.03 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.721 HD23 ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -110.29 107.01 16.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 33.0 m-85 -123.83 147.17 47.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 4.4 m -90.85 111.61 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -111.84 143.72 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -84.44 125.2 72.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 76.8 Cg_exo -49.57 -20.82 4.57 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.666 2.244 . . . . 0.0 112.25 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -62.39 -33.08 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 23.8 mt-10 -71.22 134.23 46.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.823 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.19 -51.68 68.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.979 ' CH2' HD12 ' A' ' 41' ' ' LEU . 7.2 p-90 -48.83 -21.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 111.111 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.502 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 83.9 t -88.36 -44.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.05 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 10.8 mttt -65.17 -41.55 94.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.402 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.06 -45.03 44.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.06 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -51.39 -48.83 62.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.605 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 mtp -66.53 -53.39 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.48 -28.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 109.855 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.415 ' CD2' HE22 ' A' ' 68' ' ' GLN . 81.4 t60 -75.41 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.63 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 65' ' ' LEU . 21.4 mt -58.86 -21.13 56.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.18 -29.45 57.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -104.14 9.44 36.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG2' ' CG ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -125.01 -40.47 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.806 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.88 -24.19 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.206 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.61 44.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 74' ' ' ARG . . . -85.27 15.65 4.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.249 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER 72.38 -81.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 5.0 t -76.53 -45.21 31.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.684 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.7 OUTLIER 161.47 -83.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.21 109.79 20.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.502 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.801 0.334 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -119.37 -28.53 5.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 4' ' ' GLY . 12.4 t60 -140.8 172.21 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.8 m80 41.39 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 2' ' ' HIS . . . -171.18 167.85 40.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.405 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.588 HG22 ' H ' ' A' ' 7' ' ' LYS . 7.4 p -125.5 140.58 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -106.62 -9.41 16.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.588 ' H ' HG22 ' A' ' 5' ' ' VAL . 4.0 tttt 55.43 90.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.561 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 49.6 t 70.61 107.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.493 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 p30 -30.75 -42.65 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.327 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.1 tt -135.29 117.53 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -115.11 134.09 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.39 66.15 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -30.57 63.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -179.26 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.4 128.72 56.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 17' ' ' SER . 1.6 t -70.01 -171.81 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 16' ' ' THR . 34.4 m -106.57 -176.97 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.939 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HG2' ' HB2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -61.82 152.96 30.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.71 HG23 ' HD2' ' A' ' 20' ' ' PRO . 84.9 mt -150.08 142.77 15.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.968 ' CB ' HD13 ' A' ' 23' ' ' LEU . 9.8 Cg_endo -50.64 130.23 29.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.09 2.527 . . . . 0.0 112.598 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.637 HG22 ' CE1' ' A' ' 64' ' ' HIS . 5.3 p -67.8 -37.88 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.75 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.82 3.6 9.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.019 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.968 HD13 ' CB ' ' A' ' 20' ' ' PRO . 2.0 mp -103.98 -10.15 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.657 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -86.85 141.13 29.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.643 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.531 HG13 ' N ' ' A' ' 26' ' ' HIS . 45.7 pt -119.32 -37.27 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.656 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.531 ' N ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -141.94 144.92 33.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.992 0.425 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.442 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.7 p90 -135.19 130.74 35.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.516 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.94 173.99 10.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 111.093 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.51 136.83 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.401 ' CB ' HD11 ' A' ' 40' ' ' ILE . 4.0 p-10 -72.53 -172.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -100.11 139.98 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.48 -4.45 30.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -105.91 15.17 27.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.7 m -134.69 113.19 11.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.13 -142.29 23.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 152.17 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -68.19 86.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.1 -160.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 3.4 mm -117.29 153.88 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.411 ' N ' HG22 ' A' ' 39' ' ' ILE . 19.9 mm -105.32 113.31 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 ' CH2' ' A' ' 57' ' ' TRP . 21.1 mt -106.01 124.82 50.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 39.9 tt0 -112.3 130.48 55.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.524 ' OG1' ' CB ' ' A' ' 47' ' ' ARG . 24.1 p -104.55 165.67 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 111.23 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 9.7 ptp180 -63.37 -11.66 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -104.6 25.87 9.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 58.19 47.39 14.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.787 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 1.4 ttm180 -104.72 107.89 19.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.5 mt -108.15 103.88 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 36.2 m-85 -126.28 141.98 51.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 18.4 m -84.06 105.66 15.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -108.17 120.63 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -62.84 135.96 96.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 36.1 Cg_exo -57.19 -25.54 64.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.795 2.33 . . . . 0.0 112.382 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' O ' ' HE3' ' A' ' 59' ' ' LYS . 18.1 mmtp -66.6 -28.05 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.47 129.38 39.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.538 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.05 -61.44 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.291 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.755 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 7.8 p-90 -44.82 -23.16 0.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.506 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.713 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 61.6 t -87.79 -47.83 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.692 0.282 . . . . 0.0 111.023 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' A' ' 54' ' ' LYS . 63.7 mttt -52.31 -55.04 24.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 109.978 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' CB ' HE22 ' A' ' 56' ' ' GLN . 11.2 t70 -66.78 -44.06 82.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.228 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.755 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.43 -47.25 56.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mtm -68.56 -54.21 18.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.672 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -51.98 -22.05 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.097 0.475 . . . . 0.0 109.737 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.637 ' CE1' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.78 -64.62 0.96 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.403 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.625 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 10.0 mt -48.08 -57.67 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -44.78 -28.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -25.87 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -95.27 -57.96 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . -64.44 -10.78 27.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 66' ' ' ASP . . . -41.49 -43.76 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.26 -18.34 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.245 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.3 mm? -113.04 -34.75 5.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -133.99 80.25 1.86 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -48.24 -84.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -127.61 106.9 9.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.517 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.898 0.38 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.18 -154.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -45.61 125.97 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.8 m80 40.57 83.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.23 -115.43 0.46 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.526 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.2 t -120.92 104.54 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.746 0.308 . . . . 0.0 111.165 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -111.27 -170.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.007 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 7.4 tttt 176.45 105.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.7 t 84.12 120.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.2 p30 -35.28 -45.43 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.0 tt -135.08 124.89 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' SER . 8.9 t -111.31 119.61 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 60.7 m -67.13 64.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 11' ' ' THR . 27.1 m -75.13 -13.65 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.03 -170.29 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.814 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.407 ' CE ' ' OD1' ' A' ' 52' ' ' ASP . 13.2 mmt -130.78 136.26 48.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 t -81.06 -175.09 5.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.2 m -104.85 165.25 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.17 111.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.598 HG22 ' HD2' ' A' ' 20' ' ' PRO . 2.1 mt -108.74 141.21 22.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HD2' HG22 ' A' ' 19' ' ' ILE . 46.1 Cg_exo -54.96 124.77 17.11 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.776 2.318 . . . . 0.0 112.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.79 -24.86 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.89 -6.72 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.244 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 78.0 mt -104.9 -17.36 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.758 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 HG22 ' A' ' 43' ' ' THR . 42.1 mt -78.94 138.96 38.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 44' ' ' ARG . 46.2 pt -116.09 -30.91 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.45 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -167.85 150.82 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.062 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 54.2 p90 -112.51 -173.19 2.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.762 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.472 ' HB2' ' HB ' ' A' ' 40' ' ' ILE . 17.2 mt-30 -157.07 162.58 39.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.64 102.26 11.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.453 ' ND2' ' HB2' ' A' ' 34' ' ' CYS . 7.6 t30 -57.55 138.05 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.66 164.52 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.89 -1.94 24.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.298 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -107.3 13.65 26.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.453 ' HB2' ' ND2' ' A' ' 30' ' ' ASN . 3.2 m -122.1 112.01 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.57 -119.75 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.38 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 149.19 27.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.737 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 87.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -123.2 -160.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.1 mm -121.7 150.28 24.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 3.7 mm -105.01 131.77 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.951 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.921 HD12 ' CH2' ' A' ' 57' ' ' TRP . 5.1 mt -113.75 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.094 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.515 ' HG3' HD23 ' A' ' 48' ' ' LEU . 18.7 tt0 -110.78 128.93 55.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.67 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.581 HG22 HD23 ' A' ' 24' ' ' LEU . 19.2 p -104.78 167.11 9.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.972 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 11.7 ptp180 -68.18 -7.01 26.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 1.4 tt0 -105.02 18.05 23.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 33.5 m-70 66.66 44.41 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.562 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 1.3 ttm-85 -105.11 110.94 23.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD23 ' HG3' ' A' ' 42' ' ' GLU . 1.6 mt -112.48 113.23 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 38.4 m-85 -132.34 160.82 35.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 m -103.63 110.53 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.97 139.66 44.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -67.87 129.29 93.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.47 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 19.7 Cg_endo -60.74 -12.55 22.15 Favored 'Trans proline' 0 C--N 1.34 0.093 0 C-N-CA 122.786 2.324 . . . . 0.0 112.335 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -33.4 53.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.583 ' HB2' HG23 ' A' ' 58' ' ' VAL . 5.8 mt-10 -61.44 132.35 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.526 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.49 -50.6 73.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.921 ' CH2' HD12 ' A' ' 41' ' ' LEU . 6.5 p-90 -47.07 -22.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.049 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.583 HG23 ' HB2' ' A' ' 55' ' ' GLU . 40.8 t -88.53 -51.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.327 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 79.6 mttt -55.15 -43.6 74.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.27 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' CB ' HE22 ' A' ' 56' ' ' GLN . 1.0 OUTLIER -75.33 -43.07 52.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.05 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -53.27 -36.24 60.94 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 62.5 mtm -74.23 -60.34 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.487 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -44.85 -27.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.434 ' CD2' HE22 ' A' ' 68' ' ' GLN . 81.3 t60 -75.53 -59.18 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.896 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.527 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 18.3 mt -53.71 -25.04 16.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.94 -28.61 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -93.07 22.5 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.527 ' NE2' ' HA ' ' A' ' 65' ' ' LEU . 5.0 mt-30 -129.61 -62.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.47 -12.66 46.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.3 -4.87 24.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.46 26.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.986 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 68.26 -79.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -56.43 -91.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.515 ' H ' HG23 ' A' ' 73' ' ' THR . 1.0 OUTLIER 174.76 125.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.929 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -118.02 18.82 13.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.515 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.459 ' SD ' ' HA ' ' A' ' 6' ' ' THR . 2.1 tmm? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.776 0.322 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -157.9 23.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -102.35 -71.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 175.39 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.71 -3.27 61.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.413 ' O ' ' SD ' ' A' ' 0' ' ' MET . 0.0 OUTLIER -109.01 107.28 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -120.98 6.48 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 6' ' ' THR . 1.1 tptm 86.1 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.987 0.423 . . . . 0.0 110.799 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -151.62 103.26 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.841 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -35.06 -41.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.134 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.4 tt -134.85 123.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.26 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 t -113.64 151.31 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 94.5 m -105.28 72.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -36.54 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -141.75 -179.65 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmt -107.47 163.37 13.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -111.82 -166.4 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -104.79 -173.23 2.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' HG3' ' HB3' ' A' ' 57' ' ' TRP . 6.9 tttt -71.94 144.13 49.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 20' ' ' PRO . 69.4 mt -139.44 140.36 25.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 19' ' ' ILE . 13.8 Cg_endo -56.82 119.08 6.07 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.834 2.356 . . . . 0.0 112.3 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG23 HD12 ' A' ' 24' ' ' LEU . 8.0 p -58.88 -20.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' C ' HD23 ' A' ' 23' ' ' LEU . . . -64.48 -9.91 21.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.545 ' CD1' ' HG2' ' A' ' 20' ' ' PRO . 4.0 mt -105.06 -20.43 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 21' ' ' VAL . 81.4 mt -67.77 133.11 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.582 ' CG2' ' CG ' ' A' ' 44' ' ' ARG . 17.6 pt -116.58 -35.18 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.97 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.523 ' N ' HG13 ' A' ' 25' ' ' ILE . 2.4 m-70 -166.67 148.91 6.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -117.16 143.51 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.8 169.11 9.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -112.21 106.6 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -56.26 152.96 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 3.7 mm-40 -83.43 141.78 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.85 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -83.43 -9.79 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 31' ' ' GLN . 3.6 m -111.18 135.63 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 36.55 -139.2 0.36 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.66 162.41 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.81 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -67.53 86.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -123.21 -166.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 mm -125.55 151.69 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 mm -104.75 141.1 20.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.548 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 87.1 mt -127.23 118.48 24.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.127 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 21.2 tt0 -106.06 131.23 53.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.671 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 47' ' ' ARG . 30.9 p -104.33 168.47 9.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.872 0.368 . . . . 0.0 111.377 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.582 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 39.6 mtp180 -60.5 -13.72 15.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -104.42 20.44 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 61.38 49.15 5.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.566 ' HD3' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.78 108.78 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 82.3 mt -105.69 117.23 33.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.058 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 47' ' ' ARG . 13.5 m-85 -127.17 162.81 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.28 95.87 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.55 138.12 42.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.63 138.45 85.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.7 -20.35 57.98 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.826 2.35 . . . . 0.0 112.289 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -73.15 -28.92 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 44.9 mt-10 -56.24 132.13 49.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -57.43 -57.16 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 9.0 p-90 -53.19 -17.64 1.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.443 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 86.7 t -88.48 -35.85 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -67.76 -48.39 66.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.423 ' CB ' HE22 ' A' ' 56' ' ' GLN . 43.3 t0 -72.92 -44.94 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.525 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.58 -43.84 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.9 mtm -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.576 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -48.06 -24.34 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 109.916 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -75.52 -48.29 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.97 -29.19 70.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.56 -27.12 62.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -38.04 57.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.45 -56.27 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.59 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.74 -40.89 80.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.53 -13.4 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.672 ' C ' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER -125.54 27.34 6.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.672 HG23 ' C ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER 66.27 147.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -97.2 -25.91 15.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -128.44 -39.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.516 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.8 23.56 12.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.88 26.19 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.6 m170 55.57 19.81 3.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.54 142.95 11.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.5 p -126.2 104.79 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 33.6 p -127.99 -91.61 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 6' ' ' THR . 40.4 tttp 85.55 44.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.607 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' ASN . 5.7 t -149.12 101.19 3.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.726 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.1 p-10 -35.1 -39.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.003 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.0 tt -134.91 120.89 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.29 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 9.9 t -105.33 117.56 34.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.749 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.699 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 62.9 m -78.31 61.9 2.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -24.04 60.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -153.76 160.0 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.761 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.401 ' SD ' ' HB2' ' A' ' 52' ' ' ASP . 24.2 mmt -91.89 158.96 16.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.991 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -105.94 -167.98 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.9 m -104.7 168.59 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' C ' HG13 ' A' ' 19' ' ' ILE . 10.3 tttt -50.8 159.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.487 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 36.4 mt -157.2 138.56 9.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' HB2' HD23 ' A' ' 23' ' ' LEU . 31.9 Cg_exo -60.42 123.66 13.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.793 2.329 . . . . 0.0 112.289 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.589 HG21 ' CD2' ' A' ' 64' ' ' HIS . 7.4 p -56.05 -22.37 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.14 -10.19 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.178 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.516 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -104.48 -21.31 13.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.7 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 23.2 mt -75.2 133.74 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.671 HD13 ' HA ' ' A' ' 44' ' ' ARG . 17.3 pt -121.83 -29.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.455 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.22 150.93 20.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.211 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 2.1 p90 -134.91 147.65 49.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -133.28 179.15 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.086 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -110.31 141.52 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.86 172.16 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' SER . 59.0 mt-30 -113.99 132.11 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 33' ' ' SER . . . -60.15 82.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.482 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 1.1 p 174.03 -30.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 11' ' ' THR . 0.7 OUTLIER -105.4 139.99 39.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.68 -114.69 0.97 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.644 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 166.3 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 89.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.738 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.699 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -128.65 -162.0 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.518 ' CG1' ' HG3' ' A' ' 53' ' ' PRO . 3.2 mm -122.63 153.4 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.541 HD12 HG21 ' A' ' 10' ' ' ILE . 5.4 mm -104.7 126.24 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.916 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -116.14 127.9 55.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.439 . . . . 0.0 111.159 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -119.57 128.2 53.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.592 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.655 HG22 HD23 ' A' ' 24' ' ' LEU . 21.1 p -104.71 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.671 ' HA ' HD13 ' A' ' 25' ' ' ILE . 22.0 ptt180 -68.27 -6.6 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -104.59 19.06 21.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 70.3 m-70 65.44 44.99 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.671 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 7.0 ttt-85 -104.9 106.2 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 30.5 mt -111.79 112.39 24.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 22.0 m-85 -135.07 167.69 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.011 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -107.19 117.69 34.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.459 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -119.3 137.08 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.068 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 6.6 t70 -74.42 129.55 83.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HG3' ' CG1' ' A' ' 39' ' ' ILE . 53.4 Cg_exo -52.03 -20.17 9.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -71.59 -21.06 61.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 43.9 mt-10 -69.29 131.02 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.524 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.3 OUTLIER -56.99 -55.23 37.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.498 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.681 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 13.7 p-90 -53.93 -16.47 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.6 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.459 HG21 ' HB1' ' A' ' 51' ' ' ALA . 49.1 t -88.06 -37.35 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -66.35 -50.31 63.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.136 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' CB ' HE22 ' A' ' 56' ' ' GLN . 36.1 t70 -70.75 -42.57 70.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.7 ' HB1' ' CD1' ' A' ' 24' ' ' LEU . . . -51.64 -41.65 61.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.757 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.8 mtm -73.79 -63.68 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -45.05 -26.16 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 109.953 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.589 ' CD2' HG21 ' A' ' 21' ' ' VAL . 47.4 t60 -75.17 -56.97 4.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.44 HD23 ' NE2' ' A' ' 68' ' ' GLN . 57.0 mt -45.39 -37.97 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.95 -55.69 6.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.35 59.72 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' NE2' HD23 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -144.11 -69.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.79 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.26 -39.74 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.03 -26.82 15.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.23 -15.04 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.79 -26.16 5.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.08 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 p -134.75 83.62 2.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.956 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.03 94.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.0 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' THR . 7.2 t30 -133.52 98.7 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.465 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.828 0.347 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 2' ' ' HIS . 7.1 mm-40 -107.13 -51.06 2.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 1' ' ' GLN . 35.9 t60 170.81 -50.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -88.07 104.02 16.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.45 -172.55 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 p -105.98 115.52 47.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.796 0.331 . . . . 0.0 111.014 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -105.01 174.42 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 6' ' ' THR . 1.2 ttpm? 177.37 43.15 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.175 0.512 . . . . 0.0 110.292 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -105.42 133.26 50.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.2 p30 -34.06 -51.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.8 tt -131.85 117.16 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.022 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 11' ' ' THR . 7.8 t -104.78 98.19 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.02 76.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.81 -50.57 16.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -119.13 -175.62 2.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.9 mmt -118.53 131.74 56.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -72.34 -170.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' HG13 ' A' ' 19' ' ' ILE . 9.0 m -105.17 165.88 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.534 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -57.43 134.08 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.983 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.841 HD12 ' CH2' ' A' ' 57' ' ' TRP . 3.0 mt -132.48 142.17 43.9 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.049 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.654 ' HD2' HG22 ' A' ' 19' ' ' ILE . 39.0 Cg_exo -56.21 137.12 78.63 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG13 ' HA ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -68.99 -23.21 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.27 -8.67 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 20' ' ' PRO . 15.5 mt -104.65 -18.74 14.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.811 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD12 ' HB1' ' A' ' 61' ' ' ALA . 21.4 mt -78.3 149.36 33.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.601 HD11 ' CD ' ' A' ' 42' ' ' GLU . 23.8 pt -125.45 -36.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.404 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.682 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -150.71 159.92 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 111.277 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 17.8 p90 -132.63 145.25 50.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.633 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -145.22 163.28 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 111.108 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.17 159.56 14.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -86.19 161.06 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 33' ' ' SER . 51.6 mt-30 -86.65 121.37 29.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -57.09 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 163.31 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -105.06 130.75 53.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.89 -159.17 0.11 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.473 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 158.76 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 87.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.437 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . . . -118.32 -164.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 40' ' ' ILE . 9.8 mm -126.71 153.72 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 39' ' ' ILE . 4.7 mm -108.66 121.13 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.051 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.979 HD12 ' CH2' ' A' ' 57' ' ' TRP . 12.5 mt -106.27 125.5 51.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.601 ' CD ' HD11 ' A' ' 25' ' ' ILE . 31.6 tt0 -104.71 128.8 52.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 24' ' ' LEU . 14.2 p -104.5 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.985 0.421 . . . . 0.0 111.161 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.548 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.6 mtm180 -63.92 -12.9 41.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -104.79 18.7 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 61.42 46.25 7.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.627 ' NE ' ' CZ ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -104.54 126.91 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.714 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 51.9 mt -108.24 111.42 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CZ ' ' NE ' ' A' ' 47' ' ' ARG . 4.8 m-85 -107.7 134.81 50.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.8 m -91.59 86.36 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.277 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.533 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -104.58 131.84 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.414 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.86 142.23 97.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.762 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 53.2 Cg_exo -54.18 -19.51 16.6 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.768 2.312 . . . . 0.0 112.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -80.22 -10.56 59.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 16.2 mt-10 -71.91 131.28 42.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.507 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -56.6 -58.4 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.283 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.979 ' CH2' HD12 ' A' ' 41' ' ' LEU . 3.5 p-90 -53.99 -16.67 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.475 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.533 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 74.4 t -88.14 -42.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.706 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -61.03 -51.82 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.279 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' CB ' HE22 ' A' ' 56' ' ' GLN . 14.5 t0 -69.18 -45.64 69.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.597 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.764 ' HB1' HD12 ' A' ' 24' ' ' LEU . . . -48.39 -37.09 16.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.559 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 13.1 mtm -75.13 -62.11 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.839 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -27.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.116 0.484 . . . . 0.0 109.938 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.46 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 81.8 t60 -75.67 -58.77 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.872 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.682 HD13 ' HA ' ' A' ' 26' ' ' HIS . 16.0 mt -55.0 -37.48 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -58.64 -22.3 56.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.813 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.11 -14.87 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 0.8 OUTLIER -87.3 -14.64 40.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.407 ' O ' HD23 ' A' ' 72' ' ' LEU . . . -74.28 -51.62 14.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.23 -24.91 63.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.06 -11.28 18.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.245 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -63.57 -70.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.33 17.26 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER 50.01 28.37 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -134.17 86.93 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.512 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.473 ' HA ' ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.799 0.333 . . . . 0.0 111.149 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.47 8.54 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -152.63 154.99 36.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.794 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -69.2 95.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.7 24.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.875 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 0' ' ' MET . 6.8 t -116.33 80.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.779 0.324 . . . . 0.0 111.291 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.46 -5.92 5.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.305 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.21 46.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.38 . . . . 0.0 110.79 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 10' ' ' ILE . 4.7 t -160.84 96.94 1.15 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -33.38 -34.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.591 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.0 tt -135.18 119.29 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -122.94 152.83 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.803 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 72.2 m -98.7 63.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.437 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.77 -24.99 58.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 13' ' ' SER . 4.5 tptp -147.69 -172.04 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mmt -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -89.08 -169.4 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.9 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -66.16 123.11 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.428 ' HB ' ' CZ3' ' A' ' 57' ' ' TRP . 28.8 mt -123.26 136.71 27.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.585 ' HB2' HD23 ' A' ' 23' ' ' LEU . 35.3 Cg_exo -58.63 138.64 86.86 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.808 2.339 . . . . 0.0 112.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -25.4 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.646 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' C ' HD22 ' A' ' 23' ' ' LEU . . . -65.53 -9.24 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.585 HD23 ' HB2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -104.75 -19.97 13.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 HG22 ' A' ' 43' ' ' THR . 19.7 mt -81.97 129.36 34.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.786 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.604 HD11 ' OE2' ' A' ' 42' ' ' GLU . 22.1 pt -113.58 -27.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.06 152.0 30.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.269 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' TYR . 26.3 p90 -133.5 111.42 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.49 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.429 ' C ' ' HB ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER -97.46 -167.38 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.53 ' CA ' HG12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -132.17 125.46 31.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.815 ' HB2' HD11 ' A' ' 40' ' ' ILE . 8.7 t30 -62.38 129.69 41.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -50.55 133.2 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -11.96 24.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.21 18.53 12.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 31' ' ' GLN . 2.7 m -129.25 -153.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -48.19 -179.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.425 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -45.23 142.38 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -63.64 89.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.803 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -114.42 -156.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 9.3 mm -119.93 152.67 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 30' ' ' ASN . 12.3 mm -105.12 129.73 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD12 ' CH2' ' A' ' 57' ' ' TRP . 6.9 mt -122.91 117.5 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' OE2' HD11 ' A' ' 25' ' ' ILE . 22.0 tt0 -109.75 124.86 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.721 HG22 HD23 ' A' ' 24' ' ' LEU . 5.5 p -104.46 162.46 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.992 0.425 . . . . 0.0 111.462 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.528 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 6.8 mtp85 -50.07 -19.29 0.7 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.548 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -103.58 40.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 42.91 51.26 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.611 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.621 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 6.1 ttm-85 -104.44 102.39 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD21 ' HG3' ' A' ' 42' ' ' GLU . 21.5 mt -106.63 111.03 23.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 13.3 m-85 -128.46 162.49 27.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -101.72 105.26 16.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.586 ' HB1' HG21 ' A' ' 58' ' ' VAL . . . -106.76 132.83 52.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -68.98 131.99 90.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.443 ' HG3' HG12 ' A' ' 39' ' ' ILE . 50.4 Cg_exo -53.57 -19.63 14.34 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.773 2.316 . . . . 0.0 112.245 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -74.2 -37.93 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 15.6 mt-10 -48.77 119.7 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.783 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -49.65 -55.85 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.357 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.603 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 20.1 p-90 -51.25 -19.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.451 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.586 HG21 ' HB1' ' A' ' 51' ' ' ALA . 78.9 t -88.36 -39.74 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -61.89 -48.56 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.399 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' CB ' HE22 ' A' ' 56' ' ' GLN . 41.0 t0 -73.84 -46.3 45.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.539 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -51.26 -43.04 61.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.967 0.413 . . . . 0.0 110.689 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.9 mtp -68.3 -56.66 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.78 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.46 -28.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 109.879 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -75.55 -50.89 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.618 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.498 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 13.9 mt -64.71 -24.61 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -63.18 1.25 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.23 -38.41 8.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.761 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.498 ' NE2' ' HA ' ' A' ' 65' ' ' LEU . 2.4 mt-30 -52.46 -62.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.01 -59.65 5.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.08 -31.42 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -62.34 -12.22 19.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.186 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -112.89 -70.26 0.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -143.04 155.69 44.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -99.64 29.4 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -127.44 44.02 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.515 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' GLY . 3.8 tmm? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.815 0.34 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -90.38 104.08 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -173.24 -76.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.01 -6.23 16.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 0' ' ' MET . . . 156.43 -125.51 1.63 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.477 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.54 107.97 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.339 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.5 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.44 5.01 21.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.061 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 40.35 89.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.613 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER 72.52 99.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.988 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.9 p30 -33.65 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.6 tt -132.61 93.05 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -105.35 115.14 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.595 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 63.4 m -73.94 54.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.206 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 t -75.49 -16.65 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.752 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -147.94 124.64 11.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 171.37 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -120.09 -172.32 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -113.7 155.53 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 4.0 mt -145.48 136.41 12.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.436 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 51.6 Cg_exo -52.8 116.48 2.92 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.722 2.281 . . . . 0.0 112.488 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 HD12 ' A' ' 24' ' ' LEU . 5.5 p -60.07 -14.97 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.762 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.64 -12.9 61.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.937 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -104.44 -12.17 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.791 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 HG22 ' A' ' 43' ' ' THR . 67.2 mt -79.99 124.07 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.724 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.592 HG21 ' HB3' ' A' ' 44' ' ' ARG . 20.5 pt -109.36 -28.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.26 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.05 141.57 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.075 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -113.05 163.57 14.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.804 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.508 ' CB ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -141.82 -159.56 0.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.08 127.34 16.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.64 167.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.39 156.19 19.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -6.79 41.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.44 4.74 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' GLY . 9.1 m -116.23 -162.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.831 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 34' ' ' CYS . . . -56.77 -150.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.39 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.15 89.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -112.99 -153.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.508 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.5 mm -119.4 150.67 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.067 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.508 ' HB ' ' CB ' ' A' ' 28' ' ' GLN . 14.4 mm -104.88 132.61 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.646 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 52.6 mt -117.88 114.42 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HA ' HD23 ' A' ' 48' ' ' LEU . 29.1 tt0 -110.88 125.58 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.672 HG22 HD23 ' A' ' 24' ' ' LEU . 28.7 p -104.69 166.69 10.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.592 ' HB3' HG21 ' A' ' 25' ' ' ILE . 14.5 ptp180 -63.35 -11.9 26.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.963 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 26.86 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 57.73 48.46 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.53 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 5.4 ttm-85 -104.76 105.74 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 42' ' ' GLU . 79.3 mt -110.83 104.01 12.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.749 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 37.3 m-85 -122.82 162.0 22.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -101.46 120.91 41.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.485 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -125.67 131.49 52.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -74.32 129.74 83.64 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.508 ' HG3' HG12 ' A' ' 39' ' ' ILE . 36.9 Cg_exo -56.94 -14.7 14.86 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.822 2.348 . . . . 0.0 112.207 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' O ' ' CE ' ' A' ' 59' ' ' LYS . 25.1 mtmt -70.26 -28.23 65.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -74.31 133.7 42.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.707 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.535 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -55.11 -55.59 29.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.484 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.646 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 p-90 -46.87 -22.26 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.221 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 95.9 t -88.08 -48.7 14.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' CE ' ' O ' ' A' ' 54' ' ' LYS . 44.7 mttt -61.81 -40.47 95.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.893 0.378 . . . . 0.0 110.227 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.59 -42.39 61.62 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.821 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -50.6 -46.73 58.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 64.4 mtm -68.52 -55.42 11.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.688 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -52.34 -21.31 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 109.841 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.419 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 46.2 t60 -74.67 -58.87 3.01 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.806 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.64 -22.01 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.51 -36.4 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -89.29 30.49 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.463 ' HB3' ' HA ' ' A' ' 74' ' ' ARG . 25.4 mt-30 -152.54 -64.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.86 -11.96 43.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.8 15.14 5.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.479 ' O ' HG22 ' A' ' 73' ' ' THR . . . -165.08 35.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HA ' HD13 ' A' ' 72' ' ' LEU . 0.5 OUTLIER 67.83 -76.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -42.97 100.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.527 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 4.2 mtm105 -75.53 -30.63 59.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -130.26 115.9 17.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.419 -1.211 . . . . 0.0 112.504 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.776 0.322 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.94 66.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 71.3 -70.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -135.82 126.88 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.81 113.84 3.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 5' ' ' VAL . 32.4 m -124.49 51.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.727 0.299 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 t -108.61 -6.33 16.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 74.87 43.42 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.5 t 156.93 113.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.775 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.684 ' OD1' HG22 ' A' ' 10' ' ' ILE . 13.7 p30 -43.19 -48.66 6.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.684 HG22 ' OD1' ' A' ' 9' ' ' ASN . 5.9 tt -133.59 107.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -105.98 137.1 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 89.3 m -76.82 84.33 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -75.17 -52.76 10.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.753 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 -176.86 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.753 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.404 ' SD ' ' CG ' ' A' ' 52' ' ' ASP . 8.3 mmt -113.24 131.94 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -78.52 -172.09 2.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.15 176.21 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD3' ' HB3' ' A' ' 57' ' ' TRP . 1.6 ttpm? -65.7 77.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 20' ' ' PRO . 30.6 mt -69.59 140.59 89.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 19' ' ' ILE . 14.8 Cg_endo -56.91 134.17 62.73 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.892 2.395 . . . . 0.0 112.236 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.578 HG13 HD12 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.53 -22.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.88 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.055 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' A' ' 43' ' ' THR . 10.0 mt -104.47 -24.81 12.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD23 HG22 ' A' ' 43' ' ' THR . 21.3 mt -73.13 142.92 47.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.604 HG21 ' HG2' ' A' ' 44' ' ' ARG . 10.5 pt -129.63 -36.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.372 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -154.58 146.72 23.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE2' ' SD ' ' A' ' 62' ' ' MET . 22.4 p90 -128.73 152.77 48.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.67 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.429 ' HG2' ' HB ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -142.57 167.18 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.033 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.07 170.5 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -111.17 147.87 34.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -75.54 141.61 42.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.18 24.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -106.87 19.86 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.0 m -104.63 -86.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.66 -123.38 1.21 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 34.9 mttt -70.37 145.7 50.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -72.87 84.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.675 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.633 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -127.64 -171.28 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.251 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 40' ' ' ILE . 3.4 mm -112.11 158.31 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.514 ' N ' HG22 ' A' ' 39' ' ' ILE . 16.1 mm -107.67 129.41 61.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.634 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 45.0 mt -118.18 123.61 45.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 37.3 tt0 -110.94 128.69 55.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.59 HG22 HD23 ' A' ' 24' ' ' LEU . 20.1 p -104.31 164.93 11.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.249 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 25' ' ' ILE . 65.4 mtm180 -56.4 -16.6 6.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -104.43 34.72 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 48.75 51.48 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.605 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 12.0 ttm-85 -104.54 107.76 18.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.752 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.2 mt -105.64 111.64 24.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.605 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 17.8 m-85 -131.19 146.74 52.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 1.9 m -88.53 107.11 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.715 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -107.25 112.36 25.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 0.4 OUTLIER -56.35 131.21 75.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 51.3 Cg_exo -53.82 -42.98 62.01 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.764 2.309 . . . . 0.0 112.229 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -23.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.78 128.76 36.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.515 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -59.04 -50.94 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.376 -179.583 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.634 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 2.5 p-90 -46.9 -23.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.232 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.715 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 73.1 t -88.76 -46.62 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.06 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 53' ' ' PRO . 18.6 mttm -59.27 -43.36 92.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.381 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD2' ' OE1' ' A' ' 56' ' ' GLN . 1.7 m-20 -75.62 -48.76 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.469 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -52.86 -41.16 64.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.067 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.529 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 26.8 mtm -70.54 -55.19 9.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -44.69 -28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 0.0 109.935 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.51 -59.4 2.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.65 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 25' ' ' ILE . 39.2 mt -48.89 -39.55 26.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.981 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -62.83 -57.27 11.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -42.49 -33.81 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.39 -54.46 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.78 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.54 -13.14 60.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.84 -17.31 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.07 -54.4 3.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' A' ' 73' ' ' THR . 1.5 p -123.77 93.58 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -71.76 -84.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -116.26 -42.8 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.485 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.834 0.35 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.88 175.21 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 63.46 -87.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.828 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 128.79 18.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.799 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.63 77.47 1.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.427 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 5' ' ' VAL . 11.7 m -122.42 48.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 111.072 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.415 ' C ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -130.84 105.87 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -131.35 46.38 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' ASN . 4.9 p -120.68 71.51 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -36.8 -33.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.0 tt -135.06 118.56 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -105.17 136.75 44.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.1 m -90.5 70.7 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -69.39 -39.24 78.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.98 179.35 6.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.768 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 38' ' ' ALA . 16.2 mmt -119.5 140.57 50.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 17' ' ' SER . 3.9 t -87.18 -169.2 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 16' ' ' THR . 0.1 OUTLIER -104.88 -172.83 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' CG ' ' HB3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -74.54 140.82 44.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.649 HD12 ' CH2' ' A' ' 57' ' ' TRP . 4.9 mt -138.75 142.09 32.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.323 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HD2' HG22 ' A' ' 19' ' ' ILE . 52.9 Cg_exo -53.49 116.01 2.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.57 -21.3 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.977 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.22 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.71 -5.17 21.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 41' ' ' LEU . 44.7 mt -85.23 141.77 29.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.619 HD11 ' HG2' ' A' ' 42' ' ' GLU . 18.4 pt -116.84 -29.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 25' ' ' ILE . 23.4 m-70 -159.36 158.18 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HD2' HD13 ' A' ' 65' ' ' LEU . 16.2 p90 -132.52 134.79 45.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.688 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 170.34 10.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -112.76 145.91 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -79.94 161.68 25.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -102.3 133.85 46.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.39 82.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.996 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -178.99 -48.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -105.11 131.61 52.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.74 -159.63 48.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.347 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.63 157.87 16.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -65.2 88.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 15' ' ' MET . . . -128.23 -168.8 1.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.48 HG12 ' HG3' ' A' ' 53' ' ' PRO . 3.9 mm -119.29 151.45 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.2 mm -105.01 133.17 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.595 HD12 ' CH2' ' A' ' 57' ' ' TRP . 86.7 mt -124.35 128.73 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.619 ' HG2' HD11 ' A' ' 25' ' ' ILE . 53.2 tt0 -110.85 130.56 55.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.483 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.833 HG21 HH11 ' A' ' 47' ' ' ARG . 74.0 p -104.79 173.85 6.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.367 . . . . 0.0 111.345 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' CG ' ' CG2' ' A' ' 25' ' ' ILE . 29.8 mtm180 -67.23 -7.95 27.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.799 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -104.22 20.88 17.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 53.89 37.33 26.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.597 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.833 HH11 HG21 ' A' ' 43' ' ' THR . 2.6 ttm180 -104.54 118.48 36.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.239 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 9.9 mt -104.9 131.25 52.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.949 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 3.4 m-85 -134.83 151.02 50.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 3.2 m -99.63 99.92 10.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB1' ' OE1' ' A' ' 55' ' ' GLU . . . -105.72 123.5 48.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 2.5 t70 -61.42 136.39 94.27 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 48.2 Cg_exo -55.56 -17.89 18.48 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.696 2.264 . . . . 0.0 112.17 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 52.3 mttt -69.86 -26.19 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' OE1' ' HB1' ' A' ' 51' ' ' ALA . 26.7 mt-10 -69.05 132.79 47.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -58.53 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.182 -179.12 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.649 ' CH2' HD12 ' A' ' 19' ' ' ILE . 4.2 p-90 -52.18 -18.85 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.67 0.271 . . . . 0.0 111.316 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' HB1' ' A' ' 51' ' ' ALA . 79.9 t -88.29 -32.16 5.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.945 0.402 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 54' ' ' LYS . 16.4 mttp -69.02 -54.35 15.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.077 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' CB ' HE22 ' A' ' 56' ' ' GLN . 49.7 t0 -68.19 -43.72 77.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.57 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -52.06 -44.66 64.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.982 0.42 . . . . 0.0 110.549 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.423 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 37.6 mtm -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -44.87 -27.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.084 0.469 . . . . 0.0 109.96 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.39 -63.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD13 ' HD2' ' A' ' 27' ' ' TYR . 11.9 mt -55.73 -17.74 6.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 62' ' ' MET . 35.4 m-20 -68.05 -36.5 79.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.07 -9.2 49.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -63.31 -68.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.58 -48.05 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.208 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.02 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 68' ' ' GLN . . . -55.92 -17.09 5.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.304 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 73' ' ' THR . 0.2 OUTLIER -124.48 -47.07 1.87 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER 166.9 163.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.05 118.57 3.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -117.91 -61.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.581 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.852 0.358 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.55 -54.22 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.769 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.4 ' CD2' ' H ' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -119.3 177.55 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -45.36 135.69 5.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.25 159.91 2.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.757 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.0 p -132.9 64.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -130.73 -177.64 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 164.4 42.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.204 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' ASN . 1.4 t -111.18 136.87 49.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.922 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.435 HD22 HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -36.12 -63.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.946 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 10' ' ' ILE . 6.3 tt -134.45 112.51 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.462 ' OG1' ' HA3' ' A' ' 35' ' ' GLY . 1.2 t -118.04 130.97 56.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 38' ' ' ALA . 10.9 m -72.72 78.03 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -72.42 -21.78 61.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.795 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 -176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.78 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.2 mmt -102.24 161.88 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.991 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.549 ' HG1' ' HD2' ' A' ' 49' ' ' PHE . 5.3 t -110.58 -167.5 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.96 163.69 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -58.5 134.34 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.58 HG23 ' HD2' ' A' ' 20' ' ' PRO . 58.5 mt -130.17 146.25 60.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.58 ' HD2' HG23 ' A' ' 19' ' ' ILE . 16.1 Cg_exo -66.29 138.05 49.72 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.657 2.238 . . . . 0.0 112.19 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.4 t -66.32 -17.18 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -16.64 51.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.548 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.5 mm? -104.51 -18.01 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.642 HD12 ' HB1' ' A' ' 61' ' ' ALA . 12.0 mt -74.44 128.83 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.734 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.617 HD13 ' HA ' ' A' ' 44' ' ' ARG . 29.5 pt -122.72 -31.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.07 146.09 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB3' HD12 ' A' ' 65' ' ' LEU . 12.9 p90 -121.42 157.71 29.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.733 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.522 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -147.69 -156.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' CA ' HG12 ' A' ' 40' ' ' ILE . 2.9 tt0 -150.37 149.8 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -69.35 153.75 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 45.2 mm-40 -78.02 152.37 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.29 -7.2 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.6 p -131.2 35.31 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 31' ' ' GLN . 48.2 t -119.79 -71.38 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA3' ' OG1' ' A' ' 11' ' ' THR . . . -141.39 -116.7 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -103.34 153.72 20.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.765 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 78.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.513 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -122.57 -174.48 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.56 146.97 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' HB ' ' HB2' ' A' ' 28' ' ' GLN . 5.9 mm -104.93 141.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.631 ' CD1' ' CH2' ' A' ' 57' ' ' TRP . 56.4 mt -124.21 130.33 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 56.1 tt0 -120.67 126.72 50.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.607 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.534 ' CG2' ' HB3' ' A' ' 47' ' ' ARG . 14.8 p -104.46 164.88 11.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.94 0.4 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.617 ' HA ' HD13 ' A' ' 25' ' ' ILE . 1.9 ptt180 -62.02 -11.87 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -104.09 27.96 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.681 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 55.72 47.8 19.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 3.8 ttt85 -104.59 111.48 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 22.1 mt -111.08 116.94 31.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.612 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 11.8 m-85 -134.55 170.49 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.37 110.28 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.26 143.3 45.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 133.13 92.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.789 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.81 -14.12 20.94 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.841 2.36 . . . . 0.0 112.257 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -79.77 -34.5 39.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.3 mt-10 -47.86 134.97 12.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.769 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -57.54 -56.36 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.251 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.631 ' CH2' ' CD1' ' A' ' 41' ' ' LEU . 6.8 p-90 -54.47 -17.16 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.48 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.567 ' O ' ' HE2' ' A' ' 62' ' ' MET . 54.3 t -88.23 -29.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.969 0.414 . . . . 0.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -72.85 -52.61 14.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.043 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.09 -43.81 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.262 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 24' ' ' LEU . . . -53.39 -49.64 66.8 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 110.423 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.567 ' HE2' ' O ' ' A' ' 58' ' ' VAL . 44.1 mtm -67.72 -57.37 6.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.534 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -44.78 -27.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.45 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 61.6 t60 -75.42 -48.71 21.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.382 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 27' ' ' TYR . 88.6 mt -60.43 -40.49 91.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -61.23 -30.86 70.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -94.49 35.32 1.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -143.71 -69.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.981 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.04 -19.42 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.05 61.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.27 -5.94 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.689 ' O ' HD13 ' A' ' 72' ' ' LEU . 1.1 tm? -119.91 -16.58 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.159 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -138.31 34.19 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -43.32 139.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -130.81 -38.69 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.547 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 37.2 ttp . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.542 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . 0.9 OUTLIER -41.25 -39.66 1.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.542 ' CE1' ' HB3' ' A' ' 1' ' ' GLN . 0.0 OUTLIER 171.93 96.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 2' ' ' HIS . 8.7 t60 169.67 -43.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.14 29.51 6.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.568 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.582 ' O ' HG13 ' A' ' 5' ' ' VAL . 5.6 p -118.66 87.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -131.87 -160.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.028 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 6' ' ' THR . 18.6 tttp 177.7 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' ASN . 42.8 t 63.37 133.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -37.83 -46.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.677 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.9 tt -134.18 111.56 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.317 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 11' ' ' THR . 6.7 t -107.04 118.99 38.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' SG ' ' ND2' ' A' ' 30' ' ' ASN . 85.7 m -78.76 73.24 5.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 -48.9 28.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.67 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.24 -178.46 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.6 mmt -114.66 127.46 55.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -70.02 -170.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 19' ' ' ILE . 85.1 p -109.13 168.62 9.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 19' ' ' ILE . 9.1 tptp -42.76 144.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.481 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 22.2 mt -140.96 133.57 14.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -50.91 112.29 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -53.19 -24.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.001 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.0 -8.25 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.634 HD23 ' NH1' ' A' ' 44' ' ' ARG . 13.5 mt -104.56 -19.68 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 HG22 ' A' ' 43' ' ' THR . 33.3 mt -76.99 134.53 38.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 44' ' ' ARG . 13.0 pt -122.69 -30.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.449 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.463 ' HB2' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -146.85 150.13 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 111.186 -179.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -131.93 131.83 43.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.7 174.02 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.037 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.09 145.16 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.729 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.456 ' ND2' ' SG ' ' A' ' 12' ' ' CYS . 27.5 t-20 -78.46 162.33 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -101.73 151.6 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.24 -0.56 17.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.73 -13.18 14.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.1 m -113.64 119.36 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 41.35 -146.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.96 146.88 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -65.1 86.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.56 -161.13 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.445 HG12 ' HG3' ' A' ' 53' ' ' PRO . 6.9 mm -110.45 148.21 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.274 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.3 mm -105.17 123.95 59.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.798 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.4 mt -112.62 116.61 30.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 47' ' ' ARG . 1.4 tt0 -111.7 128.22 56.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.77 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.752 HG22 HD23 ' A' ' 24' ' ' LEU . 14.2 p -104.29 164.43 11.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.649 ' HA ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -55.18 -16.24 2.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -104.0 35.07 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 48.8 50.99 16.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 9.0 ttm-85 -104.85 99.02 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -105.28 113.24 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 47' ' ' ARG . 18.4 m-85 -130.47 145.21 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.1 m -87.47 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.99 142.8 40.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.78 132.23 55.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HG3' HG12 ' A' ' 39' ' ' ILE . 67.7 Cg_exo -50.96 -47.11 27.08 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.79 2.327 . . . . 0.0 112.366 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.36 -37.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.76 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.754 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -60.18 -50.6 73.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.37 -179.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.798 ' CH2' HD12 ' A' ' 41' ' ' LEU . 11.4 p-90 -50.87 -20.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 110.964 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 62' ' ' MET . 77.1 t -88.47 -44.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -63.76 -43.63 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.256 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' CB ' HE22 ' A' ' 56' ' ' GLN . 0.5 OUTLIER -73.83 -43.66 58.04 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.925 179.38 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 57' ' ' TRP . . . -49.97 -43.69 50.42 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 58' ' ' VAL . 37.2 mtm -68.63 -51.36 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.535 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -44.79 -29.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.061 0.458 . . . . 0.0 109.959 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.48 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 83.1 t60 -75.43 -59.05 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.737 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 8.5 mt -48.6 -39.52 24.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -52.72 -42.66 65.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.021 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -22.68 62.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 1.1 mp0 -71.72 -56.14 6.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.04 -31.44 72.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.39 -48.9 68.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.55 -11.63 17.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.322 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.75 -48.24 3.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.11 139.67 22.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -60.37 165.4 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -119.81 -34.68 3.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.778 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.486 179.989 . . . . . . . . 0 0 . 1 stop_ save_